3-[3-[(1S)-1-[(1-methylpyrazol-3-yl)methylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C28H26N10 — CID 177272675

About 3-[3-[(1S)-1-[(1-methylpyrazol-3-yl)methylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-[(1S)-1-[(1-methylpyrazol-3-yl)methylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 177272675) has the molecular formula C28H26N10 and a molecular weight of 502.59 g/mol. Its IUPAC name is 3-[3-[(1S)-1-[(1-methylpyrazol-3-yl)methylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[3-[(1S)-1-[(1-methylpyrazol-3-yl)methylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• PubChem CID: 177272675
• Molecular Formula: C28H26N10
• Molecular Weight: 502.59 g/mol
• Exact Mass: 502.23
• IUPAC Name: 3-[3-[(1S)-1-[(1-methylpyrazol-3-yl)methylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• SMILES: Cn1ccc(CN[C@H]2CCc3cc(-n4c(-c5cccnc5N)nc5ccc(-n6cccn6)nc54)ccc32)n1
• InChI: InChI=1S/C28H26N10/c1-36-15-11-19(35-36)17-31-23-8-5-18-16-20(6-7-21(18)23)38-27(22-4-2-12-30-26(22)29)33-24-9-10-25(34-28(24)38)37-14-3-13-32-37/h2-4,6-7,9-16,23,31H,5,8,17H2,1H3,(H2,29,30)/t23-/m0/s1
• InChIKey: MTABPRNHNPCDPM-QHCPKHFHSA-N
• XLogP: 3.76
• TPSA: 117.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.59
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1S)-1-[(1-methylpyrazol-3-yl)methylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The IUPAC name of 3-[3-[(1S)-1-[(1-methylpyrazol-3-yl)methylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 177272675) is 3-[3-[(1S)-1-[(1-methylpyrazol-3-yl)methylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

What is the SMILES notation for 3-[3-[(1S)-1-[(1-methylpyrazol-3-yl)methylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The canonical SMILES for 3-[3-[(1S)-1-[(1-methylpyrazol-3-yl)methylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Cn1ccc(CN[C@H]2CCc3cc(-n4c(-c5cccnc5N)nc5ccc(-n6cccn6)nc54)ccc32)n1.

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

The InChIKey is MTABPRNHNPCDPM-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H26N10/c1-36-15-11-19(35-36)17-31-23-8-5-18-16-20(6-7-21(18)23)38-27(22-4-2-12-30-26(22)29)33-24-9-10-25(34-28(24)38)37-14-3-13-32-37/h2-4,6-7,9-16,23,31H,5,8,17H2,1H3,(H2,29,30)/t23-/m0/s1.

What are the key properties of 3-[3-[(1S)-1-[(1-methylpyrazol-3-yl)methylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

3-[3-[(1S)-1-[(1-methylpyrazol-3-yl)methylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 502.59 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[(1S)-1-[(1-methylpyrazol-3-yl)methylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 177272675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).