3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[6-(methylamino)-2-azaspiro[3.5]nonan-2-yl]prop-2-en-1-one

C35H39N9O — CID 176981683

About 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[6-(methylamino)-2-azaspiro[3.5]nonan-2-yl]prop-2-en-1-one

3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[6-(methylamino)-2-azaspiro[3.5]nonan-2-yl]prop-2-en-1-one (PubChem CID 176981683) has the molecular formula C35H39N9O and a molecular weight of 601.76 g/mol. Its IUPAC name is 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[6-(methylamino)-2-azaspiro[3.5]nonan-2-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[6-(methylamino)-2-azaspiro[3.5]nonan-2-yl]prop-2-en-1-one
• PubChem CID: 176981683
• Molecular Formula: C35H39N9O
• Molecular Weight: 601.76 g/mol
• Exact Mass: 601.33
• IUPAC Name: 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[6-(methylamino)-2-azaspiro[3.5]nonan-2-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CC2(CCCC(NC)C2)C1.Nc1ncccc1-c1nc2ccc(-n3cccn3)nc2n1-c1ccc2c(c1)CCC2
• InChI: InChI=1S/C23H19N7.C12H20N2O/c24-21-18(6-2-11-25-21)22-27-19-9-10-20(29-13-3-12-26-29)28-23(19)30(22)17-8-7-15-4-1-5-16(15)14-17;1-3-11(15)14-8-12(9-14)6-4-5-10(7-12)13-2/h2-3,6-14H,1,4-5H2,(H2,24,25);3,10,13H,1,4-9H2,2H3
• InChIKey: QZYNQVBEZXWKGE-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 119.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	601.76
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[6-(methylamino)-2-azaspiro[3.5]nonan-2-yl]prop-2-en-1-one?

The IUPAC name of 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[6-(methylamino)-2-azaspiro[3.5]nonan-2-yl]prop-2-en-1-one (CID 176981683) is 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[6-(methylamino)-2-azaspiro[3.5]nonan-2-yl]prop-2-en-1-one.

What is the SMILES notation for 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[6-(methylamino)-2-azaspiro[3.5]nonan-2-yl]prop-2-en-1-one?

The canonical SMILES for 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[6-(methylamino)-2-azaspiro[3.5]nonan-2-yl]prop-2-en-1-one is C=CC(=O)N1CC2(CCCC(NC)C2)C1.Nc1ncccc1-c1nc2ccc(-n3cccn3)nc2n1-c1ccc2c(c1)CCC2.

What is the InChIKey of 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[6-(methylamino)-2-azaspiro[3.5]nonan-2-yl]prop-2-en-1-one?

The InChIKey is QZYNQVBEZXWKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7.C12H20N2O/c24-21-18(6-2-11-25-21)22-27-19-9-10-20(29-13-3-12-26-29)28-23(19)30(22)17-8-7-15-4-1-5-16(15)14-17;1-3-11(15)14-8-12(9-14)6-4-5-10(7-12)13-2/h2-3,6-14H,1,4-5H2,(H2,24,25);3,10,13H,1,4-9H2,2H3.

What are the key properties of 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[6-(methylamino)-2-azaspiro[3.5]nonan-2-yl]prop-2-en-1-one?

3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[6-(methylamino)-2-azaspiro[3.5]nonan-2-yl]prop-2-en-1-one has a molecular weight of 601.76 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[6-(methylamino)-2-azaspiro[3.5]nonan-2-yl]prop-2-en-1-one is sourced from PubChem (CID 176981683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).