N-[[3-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide

C33H33FN8O2S — CID 137135733

About N-[[3-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide

N-[[3-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide (PubChem CID 137135733) has the molecular formula C33H33FN8O2S and a molecular weight of 624.75 g/mol. Its IUPAC name is N-[[3-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[[3-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide
• PubChem CID: 137135733
• Molecular Formula: C33H33FN8O2S
• Molecular Weight: 624.75 g/mol
• Exact Mass: 624.24
• IUPAC Name: N-[[3-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide
• SMILES: CS(=O)(=O)NCc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(CNCC7CCCC7)c6)cc45)[nH]c23)c1
• InChI: InChI=1S/C33H33FN8O2S/c1-45(43,44)38-18-21-10-24(13-26(34)12-21)27-8-9-37-32-30(27)39-33(40-32)31-28-14-23(6-7-29(28)41-42-31)25-11-22(17-36-19-25)16-35-15-20-4-2-3-5-20/h6-14,17,19-20,35,38H,2-5,15-16,18H2,1H3,(H,41,42)(H,37,39,40)
• InChIKey: JOBKCEWRMPBMDH-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 141.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.75
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[3-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide (CID 137135733) is N-[[3-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide.

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

The canonical SMILES for N-[[3-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(CNCC7CCCC7)c6)cc45)[nH]c23)c1.

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

The InChIKey is JOBKCEWRMPBMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33FN8O2S/c1-45(43,44)38-18-21-10-24(13-26(34)12-21)27-8-9-37-32-30(27)39-33(40-32)31-28-14-23(6-7-29(28)41-42-31)25-11-22(17-36-19-25)16-35-15-20-4-2-3-5-20/h6-14,17,19-20,35,38H,2-5,15-16,18H2,1H3,(H,41,42)(H,37,39,40).

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

N-[[3-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide has a molecular weight of 624.75 g/mol, XLogP of 5.70, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide is sourced from PubChem (CID 137135733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).