3-[3-[(1S)-1-[1-(6-methyl-3-pyridinyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C31H29N9 — CID 177272588

About 3-[3-[(1S)-1-[1-(6-methyl-3-pyridinyl)ethylamino]-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-(6-methyl-3-pyridinyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 177272588) has the molecular formula C31H29N9 and a molecular weight of 527.64 g/mol. Its IUPAC name is 3-[3-[(1S)-1-[1-(6-methyl-3-pyridinyl)ethylamino]-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-(6-methyl-3-pyridinyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• PubChem CID: 177272588
• Molecular Formula: C31H29N9
• Molecular Weight: 527.64 g/mol
• Exact Mass: 527.25
• IUPAC Name: 3-[3-[(1S)-1-[1-(6-methyl-3-pyridinyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• SMILES: Cc1ccc(C(C)N[C@H]2CCc3cc(-n4c(-c5cccnc5N)nc5ccc(-n6cccn6)nc54)ccc32)cn1
• InChI: InChI=1S/C31H29N9/c1-19-6-7-22(18-34-19)20(2)36-26-11-8-21-17-23(9-10-24(21)26)40-30(25-5-3-14-33-29(25)32)37-27-12-13-28(38-31(27)40)39-16-4-15-35-39/h3-7,9-10,12-18,20,26,36H,8,11H2,1-2H3,(H2,32,33)/t20?,26-/m0/s1
• InChIKey: MJOCLHVXQLLCKF-GHZUAHJPSA-N
• XLogP: 5.29
• TPSA: 112.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.64
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1S)-1-[1-(6-methyl-3-pyridinyl)ethylamino]-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-(6-methyl-3-pyridinyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 177272588) is 3-[3-[(1S)-1-[1-(6-methyl-3-pyridinyl)ethylamino]-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-(6-methyl-3-pyridinyl)ethylamino]-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-(6-methyl-3-pyridinyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Cc1ccc(C(C)N[C@H]2CCc3cc(-n4c(-c5cccnc5N)nc5ccc(-n6cccn6)nc54)ccc32)cn1.

What is the InChIKey of 3-[3-[(1S)-1-[1-(6-methyl-3-pyridinyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The InChIKey is MJOCLHVXQLLCKF-GHZUAHJPSA-N. The full InChI is InChI=1S/C31H29N9/c1-19-6-7-22(18-34-19)20(2)36-26-11-8-21-17-23(9-10-24(21)26)40-30(25-5-3-14-33-29(25)32)37-27-12-13-28(38-31(27)40)39-16-4-15-35-39/h3-7,9-10,12-18,20,26,36H,8,11H2,1-2H3,(H2,32,33)/t20?,26-/m0/s1.

What are the key properties of 3-[3-[(1S)-1-[1-(6-methyl-3-pyridinyl)ethylamino]-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-(6-methyl-3-pyridinyl)ethylamino]-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 527.64 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[(1S)-1-[1-(6-methyl-3-pyridinyl)ethylamino]-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 177272588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).