2-[7-(3-aminopiperidine-1-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carbaldehyde

C27H30N6O3 — CID 164555283

About 2-[7-(3-aminopiperidine-1-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carbaldehyde

2-[7-(3-aminopiperidine-1-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carbaldehyde (PubChem CID 164555283) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is 2-[7-(3-aminopiperidine-1-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carbaldehyde.

Molecular Properties

• Compound Name: 2-[7-(3-aminopiperidine-1-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carbaldehyde
• PubChem CID: 164555283
• Molecular Formula: C27H30N6O3
• Molecular Weight: 486.58 g/mol
• Exact Mass: 486.24
• IUPAC Name: 2-[7-(3-aminopiperidine-1-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carbaldehyde
• SMILES: COc1cc(C(=O)N2CCCC(N)C2)cc2nc(-c3cc4ccc(C=O)nc4n3CC3CC3)c(C)n12
• InChI: InChI=1S/C27H30N6O3/c1-16-25(22-10-18-7-8-21(15-34)29-26(18)32(22)13-17-5-6-17)30-23-11-19(12-24(36-2)33(16)23)27(35)31-9-3-4-20(28)14-31/h7-8,10-12,15,17,20H,3-6,9,13-14,28H2,1-2H3
• InChIKey: RVFGFMSMIIMJPI-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 107.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.58
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[7-(3-aminopiperidine-1-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carbaldehyde?

The IUPAC name of 2-[7-(3-aminopiperidine-1-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carbaldehyde (CID 164555283) is 2-[7-(3-aminopiperidine-1-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carbaldehyde.

What is the SMILES notation for 2-[7-(3-aminopiperidine-1-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carbaldehyde?

The canonical SMILES for 2-[7-(3-aminopiperidine-1-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carbaldehyde is COc1cc(C(=O)N2CCCC(N)C2)cc2nc(-c3cc4ccc(C=O)nc4n3CC3CC3)c(C)n12.

What is the InChIKey of 2-[7-(3-aminopiperidine-1-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carbaldehyde?

The InChIKey is RVFGFMSMIIMJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3/c1-16-25(22-10-18-7-8-21(15-34)29-26(18)32(22)13-17-5-6-17)30-23-11-19(12-24(36-2)33(16)23)27(35)31-9-3-4-20(28)14-31/h7-8,10-12,15,17,20H,3-6,9,13-14,28H2,1-2H3.

What are the key properties of 2-[7-(3-aminopiperidine-1-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carbaldehyde?

2-[7-(3-aminopiperidine-1-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carbaldehyde has a molecular weight of 486.58 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-(3-aminopiperidine-1-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carbaldehyde is sourced from PubChem (CID 164555283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).