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

C29H27N9 — CID 137041743

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

1-cyclopentyl-N-[[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine (PubChem CID 137041743) has the molecular formula C29H27N9 and a molecular weight of 501.60 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine.

Molecular Properties

• Compound Name: 1-cyclopentyl-N-[[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
• PubChem CID: 137041743
• Molecular Formula: C29H27N9
• Molecular Weight: 501.60 g/mol
• Exact Mass: 501.24
• IUPAC Name: 1-cyclopentyl-N-[[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
• SMILES: c1cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(CNCC7CCCC7)c6)nc45)[nH]c23)ccn1
• InChI: InChI=1S/C29H27N9/c1-2-4-18(3-1)14-31-15-19-13-21(17-32-16-19)23-5-6-24-26(34-23)27(38-37-24)29-35-25-22(9-12-33-28(25)36-29)20-7-10-30-11-8-20/h5-13,16-18,31H,1-4,14-15H2,(H,37,38)(H,33,35,36)
• InChIKey: MERNPJFTQFUTGW-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 120.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.60
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-cyclopentyl-N-[[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine (CID 137041743) is 1-cyclopentyl-N-[[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine.

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

The canonical SMILES for 1-cyclopentyl-N-[[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine is c1cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(CNCC7CCCC7)c6)nc45)[nH]c23)ccn1.

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

The InChIKey is MERNPJFTQFUTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N9/c1-2-4-18(3-1)14-31-15-19-13-21(17-32-16-19)23-5-6-24-26(34-23)27(38-37-24)29-35-25-22(9-12-33-28(25)36-29)20-7-10-30-11-8-20/h5-13,16-18,31H,1-4,14-15H2,(H,37,38)(H,33,35,36).

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

1-cyclopentyl-N-[[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine has a molecular weight of 501.60 g/mol, XLogP of 5.30, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-N-[[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 137041743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).