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

C29H34N10 — CID 145253039

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

N-(4,4-dimethylpent-1-en-2-yl)-5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 145253039) has the molecular formula C29H34N10 and a molecular weight of 522.66 g/mol. Its IUPAC name is N-(4,4-dimethylpent-1-en-2-yl)-5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-(4,4-dimethylpent-1-en-2-yl)-5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• PubChem CID: 145253039
• Molecular Formula: C29H34N10
• Molecular Weight: 522.66 g/mol
• Exact Mass: 522.30
• IUPAC Name: N-(4,4-dimethylpent-1-en-2-yl)-5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• SMILES: C=C(CC(C)(C)C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(N6CCN(C)CC6)c5[nH]4)c3n2)c1
• InChI: InChI=1S/C29H34N10/c1-18(15-29(2,3)4)32-20-14-19(16-30-17-20)21-6-7-22-24(33-21)26(37-36-22)28-34-25-23(8-9-31-27(25)35-28)39-12-10-38(5)11-13-39/h6-9,14,16-17,32H,1,10-13,15H2,2-5H3,(H,36,37)(H,31,34,35)
• InChIKey: CQRHTMMKBINRJP-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 114.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.66
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(4,4-dimethylpent-1-en-2-yl)-5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (CID 145253039) is N-(4,4-dimethylpent-1-en-2-yl)-5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

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

The canonical SMILES for N-(4,4-dimethylpent-1-en-2-yl)-5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is C=C(CC(C)(C)C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(N6CCN(C)CC6)c5[nH]4)c3n2)c1.

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

The InChIKey is CQRHTMMKBINRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N10/c1-18(15-29(2,3)4)32-20-14-19(16-30-17-20)21-6-7-22-24(33-21)26(37-36-22)28-34-25-23(8-9-31-27(25)35-28)39-12-10-38(5)11-13-39/h6-9,14,16-17,32H,1,10-13,15H2,2-5H3,(H,36,37)(H,31,34,35).

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

N-(4,4-dimethylpent-1-en-2-yl)-5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 522.66 g/mol, XLogP of 5.07, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,4-dimethylpent-1-en-2-yl)-5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 145253039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).