1-cyclopentyl-N-[[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine

C29H26FN7S — CID 137134153

About 1-cyclopentyl-N-[[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine

1-cyclopentyl-N-[[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine (PubChem CID 137134153) has the molecular formula C29H26FN7S and a molecular weight of 523.64 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine.

Molecular Properties

• Compound Name: 1-cyclopentyl-N-[[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
• PubChem CID: 137134153
• Molecular Formula: C29H26FN7S
• Molecular Weight: 523.64 g/mol
• Exact Mass: 523.20
• IUPAC Name: 1-cyclopentyl-N-[[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
• SMILES: Fc1ccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(CNCC7CCCC7)c6)cc45)[nH]c23)s1
• InChI: InChI=1S/C29H26FN7S/c30-25-8-7-24(38-25)21-9-10-33-28-26(21)34-29(35-28)27-22-12-19(5-6-23(22)36-37-27)20-11-18(15-32-16-20)14-31-13-17-3-1-2-4-17/h5-12,15-17,31H,1-4,13-14H2,(H,36,37)(H,33,34,35)
• InChIKey: HUQWVZTUVKULHG-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.64
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-cyclopentyl-N-[[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine (CID 137134153) is 1-cyclopentyl-N-[[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine.

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

The canonical SMILES for 1-cyclopentyl-N-[[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine is Fc1ccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(CNCC7CCCC7)c6)cc45)[nH]c23)s1.

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

The InChIKey is HUQWVZTUVKULHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN7S/c30-25-8-7-24(38-25)21-9-10-33-28-26(21)34-29(35-28)27-22-12-19(5-6-23(22)36-37-27)20-11-18(15-32-16-20)14-31-13-17-3-1-2-4-17/h5-12,15-17,31H,1-4,13-14H2,(H,36,37)(H,33,34,35).

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

1-cyclopentyl-N-[[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine has a molecular weight of 523.64 g/mol, XLogP of 6.71, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-N-[[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 137134153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).