N-(1-cyclopentylethenyl)-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine

C29H32N10 — CID 145037379

About N-(1-cyclopentylethenyl)-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine

N-(1-cyclopentylethenyl)-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine (PubChem CID 145037379) has the molecular formula C29H32N10 and a molecular weight of 520.65 g/mol. Its IUPAC name is N-(1-cyclopentylethenyl)-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-(1-cyclopentylethenyl)-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
• PubChem CID: 145037379
• Molecular Formula: C29H32N10
• Molecular Weight: 520.65 g/mol
• Exact Mass: 520.28
• IUPAC Name: N-(1-cyclopentylethenyl)-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
• SMILES: C=C(Nc1cncc(-c2cc3c(-c4nc5c(N6CCN(C)CC6)cncc5[nH]4)n[nH]c3cn2)c1)C1CCCC1
• InChI: InChI=1S/C29H32N10/c1-18(19-5-3-4-6-19)33-21-11-20(13-30-14-21)23-12-22-24(16-32-23)36-37-27(22)29-34-25-15-31-17-26(28(25)35-29)39-9-7-38(2)8-10-39/h11-17,19,33H,1,3-10H2,2H3,(H,34,35)(H,36,37)
• InChIKey: UGUSOEZBFJNVEQ-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 114.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.65
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethenyl)-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine?

The IUPAC name of N-(1-cyclopentylethenyl)-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine (CID 145037379) is N-(1-cyclopentylethenyl)-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine.

What is the SMILES notation for N-(1-cyclopentylethenyl)-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine?

The canonical SMILES for N-(1-cyclopentylethenyl)-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine is C=C(Nc1cncc(-c2cc3c(-c4nc5c(N6CCN(C)CC6)cncc5[nH]4)n[nH]c3cn2)c1)C1CCCC1.

What is the InChIKey of N-(1-cyclopentylethenyl)-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine?

The InChIKey is UGUSOEZBFJNVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N10/c1-18(19-5-3-4-6-19)33-21-11-20(13-30-14-21)23-12-22-24(16-32-23)36-37-27(22)29-34-25-15-31-17-26(28(25)35-29)39-9-7-38(2)8-10-39/h11-17,19,33H,1,3-10H2,2H3,(H,34,35)(H,36,37).

What are the key properties of N-(1-cyclopentylethenyl)-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine?

N-(1-cyclopentylethenyl)-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine has a molecular weight of 520.65 g/mol, XLogP of 4.83, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopentylethenyl)-5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 145037379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).