N-[[3-fluoro-5-[2-[5-[5-[(1-hydroxy-3,3-dimethylbutyl)amino]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide

About N-[[3-fluoro-5-[2-[5-[5-[(1-hydroxy-3,3-dimethylbutyl)amino]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide

N-[[3-fluoro-5-[2-[5-[5-[(1-hydroxy-3,3-dimethylbutyl)amino]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide (PubChem CID 137287315) has the molecular formula C32H33FN8O3S and a molecular weight of 628.73 g/mol. Its IUPAC name is N-[[3-fluoro-5-[2-[5-[5-[(1-hydroxy-3,3-dimethylbutyl)amino]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound Name	N-[[3-fluoro-5-[2-[5-[5-[(1-hydroxy-3,3-dimethylbutyl)amino]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide
PubChem CID	137287315
Molecular Formula	C32H33FN8O3S
Molecular Weight	628.73 g/mol
Exact Mass	628.24
IUPAC Name	N-[[3-fluoro-5-[2-[5-[5-[(1-hydroxy-3,3-dimethylbutyl)amino]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide
SMILES	CC(C)(C)CC(O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cc(F)cc(CNS(C)(=O)=O)c6)c5[nH]4)c3c2)c1
InChI	InChI=1S/C32H33FN8O3S/c1-32(2,3)14-27(42)37-23-12-21(16-34-17-23)19-5-6-26-25(13-19)29(41-40-26)31-38-28-24(7-8-35-30(28)39-31)20-9-18(10-22(33)11-20)15-36-45(4,43)44/h5-13,16-17,27,36-37,42H,14-15H2,1-4H3,(H,40,41)(H,35,38,39)
InChIKey	MNFUHCPUEWHBCH-UHFFFAOYSA-N
XLogP	5.59
TPSA	161.57 Å²
H-Bond Donors	5
H-Bond Acceptors	8
Rotatable Bonds	9
Heavy Atoms	45
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.73
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-[2-[5-[5-[(1-hydroxy-3,3-dimethylbutyl)amino]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide?

The IUPAC name of N-[[3-fluoro-5-[2-[5-[5-[(1-hydroxy-3,3-dimethylbutyl)amino]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide (CID 137287315) is N-[[3-fluoro-5-[2-[5-[5-[(1-hydroxy-3,3-dimethylbutyl)amino]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide.

What is the SMILES notation for N-[[3-fluoro-5-[2-[5-[5-[(1-hydroxy-3,3-dimethylbutyl)amino]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide?

The canonical SMILES for N-[[3-fluoro-5-[2-[5-[5-[(1-hydroxy-3,3-dimethylbutyl)amino]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide is CC(C)(C)CC(O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cc(F)cc(CNS(C)(=O)=O)c6)c5[nH]4)c3c2)c1.

What is the InChIKey of N-[[3-fluoro-5-[2-[5-[5-[(1-hydroxy-3,3-dimethylbutyl)amino]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide?

The InChIKey is MNFUHCPUEWHBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN8O3S/c1-32(2,3)14-27(42)37-23-12-21(16-34-17-23)19-5-6-26-25(13-19)29(41-40-26)31-38-28-24(7-8-35-30(28)39-31)20-9-18(10-22(33)11-20)15-36-45(4,43)44/h5-13,16-17,27,36-37,42H,14-15H2,1-4H3,(H,40,41)(H,35,38,39).

What are the key properties of N-[[3-fluoro-5-[2-[5-[5-[(1-hydroxy-3,3-dimethylbutyl)amino]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide?

N-[[3-fluoro-5-[2-[5-[5-[(1-hydroxy-3,3-dimethylbutyl)amino]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 628.73 g/mol, XLogP of 5.59, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-fluoro-5-[2-[5-[5-[(1-hydroxy-3,3-dimethylbutyl)amino]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 137287315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).