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8-isopropyl-2-(piperidin-3-yloxy)-N-{[2-(pyrazol-1-yl)phenyl]methyl}pyrazolo[1,5-a][1,3,5]triazin-4-amine hydrochloride

8-isopropyl-2-(piperidin-3-yloxy)-N-{[2-(pyrazol-1-yl)phenyl]methyl}pyrazolo[1,5-a][1,3,5]triazin-4-amine hydrochloride

CAS: 2319747-14-1

Formula: C23H29ClN8O

SMILES: Cl[H].CC(C)C1=C2N=C(OC3CCCNC3)N=C(NCC3=CC=CC=C3N3C=CC=N3)N2N=C1

IUPAC: 2-(piperidin-3-yloxy)-8-(propan-2-yl)-N-{[2-(1H-pyrazol-1-yl)phenyl]methyl}pyrazolo[1,5-a][1,3,5]triazin-4-amine hydrochloride

InChI: InChI=1/C23H28N8O.ClH/c1-16(2)19-15-27-31-21(19)28-23(32-18-8-5-10-24-14-18)29-22(31)25-13-17-7-3-4-9-20(17)30-12-6-11-26-30;/h3-4,6-7,9,11-12,15-16,18,24H,5,8,10,13-14H2,1-2H3,(H,25,28,29);1H

Composition: C (58.90%), H (6.23%), Cl (7.56%), N (23.89%), O (3.41%)

Molar Mass: 468.99

Atom Count: 62

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 468.2152853
Formal Charge 0
FSP3 0.39
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 2
InChIKey CEUJJAKJRBKKSL-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 136.12
Topological Polar Surface Area 94.19
Polarizability 47.27
Ring Count 5
Rotatable Bond Count 7

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