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

C33H32N10 — CID 177272591

About 3-[5-pyrazol-1-yl-3-[(1S)-1-[(1-pyridin-3-ylpiperidin-4-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-[(1S)-1-[(1-pyridin-3-ylpiperidin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 177272591) has the molecular formula C33H32N10 and a molecular weight of 568.69 g/mol. Its IUPAC name is 3-[5-pyrazol-1-yl-3-[(1S)-1-[(1-pyridin-3-ylpiperidin-4-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-[(1S)-1-[(1-pyridin-3-ylpiperidin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• PubChem CID: 177272591
• Molecular Formula: C33H32N10
• Molecular Weight: 568.69 g/mol
• Exact Mass: 568.28
• IUPAC Name: 3-[5-pyrazol-1-yl-3-[(1S)-1-[(1-pyridin-3-ylpiperidin-4-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)CC[C@@H]2NC1CCN(c2cccnc2)CC1
• InChI: InChI=1S/C33H32N10/c34-31-27(5-2-15-36-31)32-39-29-10-11-30(42-17-3-16-37-42)40-33(29)43(32)24-7-8-26-22(20-24)6-9-28(26)38-23-12-18-41(19-13-23)25-4-1-14-35-21-25/h1-5,7-8,10-11,14-17,20-21,23,28,38H,6,9,12-13,18-19H2,(H2,34,36)/t28-/m0/s1
• InChIKey: UNPNRBDDYVWFQJ-NDEPHWFRSA-N
• XLogP: 4.89
• TPSA: 115.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.69
LogP ≤ 5	4.89
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-[(1S)-1-[(1-pyridin-3-ylpiperidin-4-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-[(1S)-1-[(1-pyridin-3-ylpiperidin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 177272591) is 3-[5-pyrazol-1-yl-3-[(1S)-1-[(1-pyridin-3-ylpiperidin-4-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-[(1S)-1-[(1-pyridin-3-ylpiperidin-4-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-[(1S)-1-[(1-pyridin-3-ylpiperidin-4-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)CC[C@@H]2NC1CCN(c2cccnc2)CC1.

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

The InChIKey is UNPNRBDDYVWFQJ-NDEPHWFRSA-N. The full InChI is InChI=1S/C33H32N10/c34-31-27(5-2-15-36-31)32-39-29-10-11-30(42-17-3-16-37-42)40-33(29)43(32)24-7-8-26-22(20-24)6-9-28(26)38-23-12-18-41(19-13-23)25-4-1-14-35-21-25/h1-5,7-8,10-11,14-17,20-21,23,28,38H,6,9,12-13,18-19H2,(H2,34,36)/t28-/m0/s1.

What are the key properties of 3-[5-pyrazol-1-yl-3-[(1S)-1-[(1-pyridin-3-ylpiperidin-4-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-[(1S)-1-[(1-pyridin-3-ylpiperidin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 568.69 g/mol, XLogP of 4.89, 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-[(1S)-1-[(1-pyridin-3-ylpiperidin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 177272591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).