Text Search
Structure Search

N-(2-{5-amino-1-[6-(2,6-difluorophenoxy)-4-methylpyridin-3-yl]pyrazole-4-carbonyl}-5-methyl-1H-indol-6-yl)methanesulfonamide

N-(2-{5-amino-1-[6-(2,6-difluorophenoxy)-4-methylpyridin-3-yl]pyrazole-4-carbonyl}-5-methyl-1H-indol-6-yl)methanesulfonamide

CAS: 2055918-71-1

Formula: C26H22F2N6O4S

SMILES: CC1=C(NS(C)(=O)=O)C=C2NC(=CC2=C1)C(=O)C1=C(N)N(N=C1)C1=C(C)C=C(OC2=C(F)C=CC=C2F)N=C1

IUPAC: N-(2-{5-amino-1-[6-(2,6-difluorophenoxy)-4-methylpyridin-3-yl]-1H-pyrazole-4-carbonyl}-5-methyl-1H-indol-6-yl)methanesulfonamide

InChI: InChI=1S/C26H22F2N6O4S/c1-13-7-15-9-21(32-20(15)10-19(13)33-39(3,36)37)24(35)16-11-31-34(26(16)29)22-12-30-23(8-14(22)2)38-25-17(27)5-4-6-18(25)28/h4-12,32-33H,29H2,1-3H3

Composition: C (56.52%), H (4.01%), F (6.88%), N (15.21%), O (11.58%), S (5.80%)

Molar Mass: 552.56

Atom Count: 61

Heavy Atom Count: 39

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 552.139130712
Formal Charge 0
FSP3 0.12
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey YVXUHNOWRKWXSJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 141.51
Topological Polar Surface Area 144.99
Polarizability 54.86
Ring Count 5
Rotatable Bond Count 6

Suppliers

No suppliers are currently stocking this item.