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

C29H27N7S — CID 137134096

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

1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine (PubChem CID 137134096) has the molecular formula C29H27N7S and a molecular weight of 505.65 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[3-(7-thiophen-3-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-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
• PubChem CID: 137134096
• Molecular Formula: C29H27N7S
• Molecular Weight: 505.65 g/mol
• Exact Mass: 505.20
• IUPAC Name: 1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
• SMILES: c1cc(-c2ccsc2)c2[nH]c(-c3n[nH]c4ccc(-c5cncc(CNCC6CCCC6)c5)cc34)nc2n1
• InChI: InChI=1S/C29H27N7S/c1-2-4-18(3-1)13-30-14-19-11-22(16-31-15-19)20-5-6-25-24(12-20)27(36-35-25)29-33-26-23(21-8-10-37-17-21)7-9-32-28(26)34-29/h5-12,15-18,30H,1-4,13-14H2,(H,35,36)(H,32,33,34)
• InChIKey: MAAOLTBXCJHHJL-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.65
LogP ≤ 5	6.57
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-thiophen-3-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-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine (CID 137134096) is 1-cyclopentyl-N-[[5-[3-(7-thiophen-3-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-thiophen-3-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-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine is c1cc(-c2ccsc2)c2[nH]c(-c3n[nH]c4ccc(-c5cncc(CNCC6CCCC6)c5)cc34)nc2n1.

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

The InChIKey is MAAOLTBXCJHHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7S/c1-2-4-18(3-1)13-30-14-19-11-22(16-31-15-19)20-5-6-25-24(12-20)27(36-35-25)29-33-26-23(21-8-10-37-17-21)7-9-32-28(26)34-29/h5-12,15-18,30H,1-4,13-14H2,(H,35,36)(H,32,33,34).

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

1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine has a molecular weight of 505.65 g/mol, XLogP of 6.57, 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-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 137134096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).