N-[5-[3-[7-[3-[amino(methylsulfonyl)methyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide

C29H26FN9O3S — CID 137313228

About N-[5-[3-[7-[3-[amino(methylsulfonyl)methyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide

N-[5-[3-[7-[3-[amino(methylsulfonyl)methyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide (PubChem CID 137313228) has the molecular formula C29H26FN9O3S and a molecular weight of 599.65 g/mol. Its IUPAC name is N-[5-[3-[7-[3-[amino(methylsulfonyl)methyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-[3-[amino(methylsulfonyl)methyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
• PubChem CID: 137313228
• Molecular Formula: C29H26FN9O3S
• Molecular Weight: 599.65 g/mol
• Exact Mass: 599.19
• IUPAC Name: N-[5-[3-[7-[3-[amino(methylsulfonyl)methyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
• SMILES: CC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cc(F)cc(C(N)S(C)(=O)=O)c6)c5[nH]4)c3n2)c1
• InChI: InChI=1S/C29H26FN9O3S/c1-14(2)29(40)34-19-11-17(12-32-13-19)21-4-5-22-24(35-21)25(39-38-22)28-36-23-20(6-7-33-27(23)37-28)15-8-16(10-18(30)9-15)26(31)43(3,41)42/h4-14,26H,31H2,1-3H3,(H,34,40)(H,38,39)(H,33,36,37)
• InChIKey: YEOUWMUSKPBTKL-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 185.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.65
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-[3-[amino(methylsulfonyl)methyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide?

The IUPAC name of N-[5-[3-[7-[3-[amino(methylsulfonyl)methyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide (CID 137313228) is N-[5-[3-[7-[3-[amino(methylsulfonyl)methyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide.

What is the SMILES notation for N-[5-[3-[7-[3-[amino(methylsulfonyl)methyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide?

The canonical SMILES for N-[5-[3-[7-[3-[amino(methylsulfonyl)methyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide is CC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cc(F)cc(C(N)S(C)(=O)=O)c6)c5[nH]4)c3n2)c1.

What is the InChIKey of N-[5-[3-[7-[3-[amino(methylsulfonyl)methyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide?

The InChIKey is YEOUWMUSKPBTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN9O3S/c1-14(2)29(40)34-19-11-17(12-32-13-19)21-4-5-22-24(35-21)25(39-38-22)28-36-23-20(6-7-33-27(23)37-28)15-8-16(10-18(30)9-15)26(31)43(3,41)42/h4-14,26H,31H2,1-3H3,(H,34,40)(H,38,39)(H,33,36,37).

What are the key properties of N-[5-[3-[7-[3-[amino(methylsulfonyl)methyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide?

N-[5-[3-[7-[3-[amino(methylsulfonyl)methyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide has a molecular weight of 599.65 g/mol, XLogP of 4.36, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[7-[3-[amino(methylsulfonyl)methyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 137313228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).