3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;4-(oxetan-3-ylmethylamino)piperidine-1-carbaldehyde;prop-1-ene

C36H43N9O2 — CID 176981562

About 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;4-(oxetan-3-ylmethylamino)piperidine-1-carbaldehyde;prop-1-ene

3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;4-(oxetan-3-ylmethylamino)piperidine-1-carbaldehyde;prop-1-ene (PubChem CID 176981562) has the molecular formula C36H43N9O2 and a molecular weight of 633.80 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;4-(oxetan-3-ylmethylamino)piperidine-1-carbaldehyde;prop-1-ene.

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;4-(oxetan-3-ylmethylamino)piperidine-1-carbaldehyde;prop-1-ene
• PubChem CID: 176981562
• Molecular Formula: C36H43N9O2
• Molecular Weight: 633.80 g/mol
• Exact Mass: 633.35
• IUPAC Name: 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;4-(oxetan-3-ylmethylamino)piperidine-1-carbaldehyde;prop-1-ene
• SMILES: C=CC.Nc1ncccc1-c1nc2ccc(-n3cccn3)nc2n1-c1ccc2c(c1)CCC2.O=CN1CCC(NCC2COC2)CC1
• InChI: InChI=1S/C23H19N7.C10H18N2O2.C3H6/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;13-8-12-3-1-10(2-4-12)11-5-9-6-14-7-9;1-3-2/h2-3,6-14H,1,4-5H2,(H2,24,25);8-11H,1-7H2;3H,1H2,2H3
• InChIKey: LCEVRGJUQXNTLU-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 129.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	633.80
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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;4-(oxetan-3-ylmethylamino)piperidine-1-carbaldehyde;prop-1-ene?

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;4-(oxetan-3-ylmethylamino)piperidine-1-carbaldehyde;prop-1-ene (CID 176981562) is 3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;4-(oxetan-3-ylmethylamino)piperidine-1-carbaldehyde;prop-1-ene.

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;4-(oxetan-3-ylmethylamino)piperidine-1-carbaldehyde;prop-1-ene?

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;4-(oxetan-3-ylmethylamino)piperidine-1-carbaldehyde;prop-1-ene is C=CC.Nc1ncccc1-c1nc2ccc(-n3cccn3)nc2n1-c1ccc2c(c1)CCC2.O=CN1CCC(NCC2COC2)CC1.

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;4-(oxetan-3-ylmethylamino)piperidine-1-carbaldehyde;prop-1-ene?

The InChIKey is LCEVRGJUQXNTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7.C10H18N2O2.C3H6/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;13-8-12-3-1-10(2-4-12)11-5-9-6-14-7-9;1-3-2/h2-3,6-14H,1,4-5H2,(H2,24,25);8-11H,1-7H2;3H,1H2,2H3.

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;4-(oxetan-3-ylmethylamino)piperidine-1-carbaldehyde;prop-1-ene?

3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;4-(oxetan-3-ylmethylamino)piperidine-1-carbaldehyde;prop-1-ene has a molecular weight of 633.80 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 10 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;4-(oxetan-3-ylmethylamino)piperidine-1-carbaldehyde;prop-1-ene is sourced from PubChem (CID 176981562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).