3-[5-pyrazol-1-yl-3-[1-[(1-pyridin-2-ylpyrrolidin-3-yl)amino]-2,3-dihydro-1H-inden-5-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C32H30N10 — CID 176699567

About 3-[5-pyrazol-1-yl-3-[1-[(1-pyridin-2-ylpyrrolidin-3-yl)amino]-2,3-dihydro-1H-inden-5-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[5-pyrazol-1-yl-3-[1-[(1-pyridin-2-ylpyrrolidin-3-yl)amino]-2,3-dihydro-1H-inden-5-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 176699567) has the molecular formula C32H30N10 and a molecular weight of 554.66 g/mol. Its IUPAC name is 3-[5-pyrazol-1-yl-3-[1-[(1-pyridin-2-ylpyrrolidin-3-yl)amino]-2,3-dihydro-1H-inden-5-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[5-pyrazol-1-yl-3-[1-[(1-pyridin-2-ylpyrrolidin-3-yl)amino]-2,3-dihydro-1H-inden-5-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• PubChem CID: 176699567
• Molecular Formula: C32H30N10
• Molecular Weight: 554.66 g/mol
• Exact Mass: 554.27
• IUPAC Name: 3-[5-pyrazol-1-yl-3-[1-[(1-pyridin-2-ylpyrrolidin-3-yl)amino]-2,3-dihydro-1H-inden-5-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• SMILES: Nc1ncccc1-c1nc2ccc(-n3cccn3)nc2n1-c1ccc2c(c1)CCC2NC1CCN(c2ccccn2)C1
• InChI: InChI=1S/C32H30N10/c33-30-25(5-3-15-35-30)31-38-27-11-12-29(41-17-4-16-36-41)39-32(27)42(31)23-8-9-24-21(19-23)7-10-26(24)37-22-13-18-40(20-22)28-6-1-2-14-34-28/h1-6,8-9,11-12,14-17,19,22,26,37H,7,10,13,18,20H2,(H2,33,35)
• InChIKey: KYMUEMGRGPTFIQ-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 115.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.66
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[5-pyrazol-1-yl-3-[1-[(1-pyridin-2-ylpyrrolidin-3-yl)amino]-2,3-dihydro-1H-inden-5-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The IUPAC name of 3-[5-pyrazol-1-yl-3-[1-[(1-pyridin-2-ylpyrrolidin-3-yl)amino]-2,3-dihydro-1H-inden-5-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 176699567) is 3-[5-pyrazol-1-yl-3-[1-[(1-pyridin-2-ylpyrrolidin-3-yl)amino]-2,3-dihydro-1H-inden-5-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

What is the SMILES notation for 3-[5-pyrazol-1-yl-3-[1-[(1-pyridin-2-ylpyrrolidin-3-yl)amino]-2,3-dihydro-1H-inden-5-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The canonical SMILES for 3-[5-pyrazol-1-yl-3-[1-[(1-pyridin-2-ylpyrrolidin-3-yl)amino]-2,3-dihydro-1H-inden-5-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Nc1ncccc1-c1nc2ccc(-n3cccn3)nc2n1-c1ccc2c(c1)CCC2NC1CCN(c2ccccn2)C1.

What is the InChIKey of 3-[5-pyrazol-1-yl-3-[1-[(1-pyridin-2-ylpyrrolidin-3-yl)amino]-2,3-dihydro-1H-inden-5-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The InChIKey is KYMUEMGRGPTFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N10/c33-30-25(5-3-15-35-30)31-38-27-11-12-29(41-17-4-16-36-41)39-32(27)42(31)23-8-9-24-21(19-23)7-10-26(24)37-22-13-18-40(20-22)28-6-1-2-14-34-28/h1-6,8-9,11-12,14-17,19,22,26,37H,7,10,13,18,20H2,(H2,33,35).

What are the key properties of 3-[5-pyrazol-1-yl-3-[1-[(1-pyridin-2-ylpyrrolidin-3-yl)amino]-2,3-dihydro-1H-inden-5-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

3-[5-pyrazol-1-yl-3-[1-[(1-pyridin-2-ylpyrrolidin-3-yl)amino]-2,3-dihydro-1H-inden-5-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 554.66 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-pyrazol-1-yl-3-[1-[(1-pyridin-2-ylpyrrolidin-3-yl)amino]-2,3-dihydro-1H-inden-5-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 176699567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).