N-[2-[[2-(difluoromethyl)-5-[2-[(1R,2R)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide

C75H75F9N18O9S3 — CID 162093567

About N-[2-[[2-(difluoromethyl)-5-[2-[(1R,2R)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide

N-[2-[[2-(difluoromethyl)-5-[2-[(1R,2R)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide (PubChem CID 162093567) has the molecular formula C75H75F9N18O9S3 and a molecular weight of 1639.72 g/mol. Its IUPAC name is N-[2-[[2-(difluoromethyl)-5-[2-[(1R,2R)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[[2-(difluoromethyl)-5-[2-[(1R,2R)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide
• PubChem CID: 162093567
• Molecular Formula: C75H75F9N18O9S3
• Molecular Weight: 1639.72 g/mol
• Exact Mass: 1638.50
• IUPAC Name: N-[2-[[2-(difluoromethyl)-5-[2-[(1R,2R)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide
• SMILES: CN(c1cc(-c2cnn(C)c2)ccc1Nc1cc(CC(=O)C2C[C@@H]2F)nc2c1N=C(C(F)F)C2)S(C)(=O)=O.CN(c1cc(-c2cnn(C)c2)ccc1Nc1cc(CC(=O)[C@@H]2C[C@@H]2F)nc2c1N=C(C(F)F)C2)S(C)(=O)=O.CN(c1cc(-c2cnn(C)c2)ccc1Nc1cc(CC(=O)[C@H]2C[C@H]2F)nc2c1N=C(C(F)F)C2)S(C)(=O)=O
• InChI: InChI=1S/3C25H25F3N6O3S/c3*1-33-12-14(11-29-33)13-4-5-18(22(6-13)34(2)38(3,36)37)31-19-7-15(8-23(35)16-9-17(16)26)30-20-10-21(25(27)28)32-24(19)20/h3*4-7,11-12,16-17,25H,8-10H2,1-3H3,(H,30,31)/t16?,17-;2*16-,17+/m010/s1
• InChIKey: ZDYCPAOSQPNUNW-LFLXGZBSSA-N
• XLogP: 11.95
• TPSA: 328.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1639.72
LogP ≤ 5	11.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(difluoromethyl)-5-[2-[(1R,2R)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide?

The IUPAC name of N-[2-[[2-(difluoromethyl)-5-[2-[(1R,2R)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide (CID 162093567) is N-[2-[[2-(difluoromethyl)-5-[2-[(1R,2R)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide.

What is the SMILES notation for N-[2-[[2-(difluoromethyl)-5-[2-[(1R,2R)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide?

The canonical SMILES for N-[2-[[2-(difluoromethyl)-5-[2-[(1R,2R)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide is CN(c1cc(-c2cnn(C)c2)ccc1Nc1cc(CC(=O)C2C[C@@H]2F)nc2c1N=C(C(F)F)C2)S(C)(=O)=O.CN(c1cc(-c2cnn(C)c2)ccc1Nc1cc(CC(=O)[C@@H]2C[C@@H]2F)nc2c1N=C(C(F)F)C2)S(C)(=O)=O.CN(c1cc(-c2cnn(C)c2)ccc1Nc1cc(CC(=O)[C@H]2C[C@H]2F)nc2c1N=C(C(F)F)C2)S(C)(=O)=O.

What is the InChIKey of N-[2-[[2-(difluoromethyl)-5-[2-[(1R,2R)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide?

The InChIKey is ZDYCPAOSQPNUNW-LFLXGZBSSA-N. The full InChI is InChI=1S/3C25H25F3N6O3S/c3*1-33-12-14(11-29-33)13-4-5-18(22(6-13)34(2)38(3,36)37)31-19-7-15(8-23(35)16-9-17(16)26)30-20-10-21(25(27)28)32-24(19)20/h3*4-7,11-12,16-17,25H,8-10H2,1-3H3,(H,30,31)/t16?,17-;2*16-,17+/m010/s1.

What are the key properties of N-[2-[[2-(difluoromethyl)-5-[2-[(1R,2R)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide?

N-[2-[[2-(difluoromethyl)-5-[2-[(1R,2R)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 1639.72 g/mol, XLogP of 11.95, 27 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-(difluoromethyl)-5-[2-[(1R,2R)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[2-[(2S)-2-fluorocyclopropyl]-2-oxoethyl]-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 162093567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).