N-[7-[6-[1-amino-2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide;hydrochloride

C23H21Cl2F2N7O2S — CID 135370986

About N-[7-[6-[1-amino-2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide;hydrochloride

N-[7-[6-[1-amino-2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide;hydrochloride (PubChem CID 135370986) has the molecular formula C23H21Cl2F2N7O2S and a molecular weight of 568.44 g/mol. Its IUPAC name is N-[7-[6-[1-amino-2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide;hydrochloride.

Molecular Properties

• Compound Name: N-[7-[6-[1-amino-2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide;hydrochloride
• PubChem CID: 135370986
• Molecular Formula: C23H21Cl2F2N7O2S
• Molecular Weight: 568.44 g/mol
• Exact Mass: 567.08
• IUPAC Name: N-[7-[6-[1-amino-2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide;hydrochloride
• SMILES: Cl.Cn1nc(NS(C)(=O)=O)c2c(Cl)ccc(-c3cc4cn[nH]c4nc3C(N)Cc3cc(F)cc(F)c3)c21
• InChI: InChI=1S/C23H20ClF2N7O2S.ClH/c1-33-21-15(3-4-17(24)19(21)23(31-33)32-36(2,34)35)16-8-12-10-28-30-22(12)29-20(16)18(27)7-11-5-13(25)9-14(26)6-11;/h3-6,8-10,18H,7,27H2,1-2H3,(H,31,32)(H,28,29,30);1H
• InChIKey: PNWQNQZCNGXZJB-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 131.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.44
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[7-[6-[1-amino-2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide;hydrochloride?

The IUPAC name of N-[7-[6-[1-amino-2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide;hydrochloride (CID 135370986) is N-[7-[6-[1-amino-2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide;hydrochloride.

What is the SMILES notation for N-[7-[6-[1-amino-2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide;hydrochloride?

The canonical SMILES for N-[7-[6-[1-amino-2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide;hydrochloride is Cl.Cn1nc(NS(C)(=O)=O)c2c(Cl)ccc(-c3cc4cn[nH]c4nc3C(N)Cc3cc(F)cc(F)c3)c21.

What is the InChIKey of N-[7-[6-[1-amino-2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide;hydrochloride?

The InChIKey is PNWQNQZCNGXZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF2N7O2S.ClH/c1-33-21-15(3-4-17(24)19(21)23(31-33)32-36(2,34)35)16-8-12-10-28-30-22(12)29-20(16)18(27)7-11-5-13(25)9-14(26)6-11;/h3-6,8-10,18H,7,27H2,1-2H3,(H,31,32)(H,28,29,30);1H.

What are the key properties of N-[7-[6-[1-amino-2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide;hydrochloride?

N-[7-[6-[1-amino-2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide;hydrochloride has a molecular weight of 568.44 g/mol, XLogP of 4.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-[6-[1-amino-2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 135370986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).