1-cyclopentyl-N-[[5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine

C29H27N7S — CID 137311533

About 1-cyclopentyl-N-[[5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine

1-cyclopentyl-N-[[5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine (PubChem CID 137311533) has the molecular formula C29H27N7S and a molecular weight of 505.65 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine.

Molecular Properties

• Compound Name: 1-cyclopentyl-N-[[5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
• PubChem CID: 137311533
• Molecular Formula: C29H27N7S
• Molecular Weight: 505.65 g/mol
• Exact Mass: 505.20
• IUPAC Name: 1-cyclopentyl-N-[[5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
• SMILES: c1cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CNCC7CCCC7)c6)cc45)cc23)cs1
• InChI: InChI=1S/C29H27N7S/c1-2-4-18(3-1)10-30-11-19-7-21(13-31-12-19)25-9-23-28(16-33-25)35-36-29(23)26-8-22-24(20-5-6-37-17-20)14-32-15-27(22)34-26/h5-9,12-18,30,34H,1-4,10-11H2,(H,35,36)
• InChIKey: MSWLQZNJGWFKHQ-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-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine?

The IUPAC name of 1-cyclopentyl-N-[[5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine (CID 137311533) is 1-cyclopentyl-N-[[5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine.

What is the SMILES notation for 1-cyclopentyl-N-[[5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine?

The canonical SMILES for 1-cyclopentyl-N-[[5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine is c1cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CNCC7CCCC7)c6)cc45)cc23)cs1.

What is the InChIKey of 1-cyclopentyl-N-[[5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine?

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

What are the key properties of 1-cyclopentyl-N-[[5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine?

1-cyclopentyl-N-[[5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-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-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 137311533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).