6-[(6-chloro-2-methylindazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione

6-[(6-chloro-2-methylindazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione

CAS: 2647530-73-0

Formula: C22H17ClF3N9O2

SMILES: CN1C=NC(CN2C(=O)N=C(NC3=CC4=CN(C)N=C4C=C3Cl)N(CC3=C(F)C=C(F)C(F)=C3)C2=O)=N1

IUPAC: 6-[(6-chloro-2-methyl-2H-indazol-5-yl)amino]-3-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[(2,4,5-trifluorophenyl)methyl]-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dione

InChI: InChI=1S/C22H17ClF3N9O2/c1-32-7-12-4-18(13(23)5-17(12)30-32)28-20-29-21(36)35(9-19-27-10-33(2)31-19)22(37)34(20)8-11-3-15(25)16(26)6-14(11)24/h3-7,10H,8-9H2,1-2H3,(H,28,29,36)

Composition: C (49.68%), H (3.22%), Cl (6.66%), F (10.72%), N (23.70%), O (6.02%)

Molar Mass: 531.88

Atom Count: 54

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	531.114583
Formal Charge	0
FSP3	0.18
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	QMPBBNUOBOFBFS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	150.08
Topological Polar Surface Area	113.54
Polarizability	47.24
Ring Count	5
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98.74%	<7 Days	2647530-73-0		$32.73-$366.52$32.73$56.10$130.90$229.08$366.52