3-methyl-N-[5-[7-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1a,2-dihydro-1H-azirino[2,3-b][1,5]naphthyridin-5-yl]-3-pyridinyl]butanamide

C29H25N9O — CID 145248728

About 3-methyl-N-[5-[7-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1a,2-dihydro-1H-azirino[2,3-b][1,5]naphthyridin-5-yl]-3-pyridinyl]butanamide

3-methyl-N-[5-[7-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1a,2-dihydro-1H-azirino[2,3-b][1,5]naphthyridin-5-yl]-3-pyridinyl]butanamide (PubChem CID 145248728) has the molecular formula C29H25N9O and a molecular weight of 515.58 g/mol. Its IUPAC name is 3-methyl-N-[5-[7-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1a,2-dihydro-1H-azirino[2,3-b][1,5]naphthyridin-5-yl]-3-pyridinyl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[5-[7-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1a,2-dihydro-1H-azirino[2,3-b][1,5]naphthyridin-5-yl]-3-pyridinyl]butanamide
• PubChem CID: 145248728
• Molecular Formula: C29H25N9O
• Molecular Weight: 515.58 g/mol
• Exact Mass: 515.22
• IUPAC Name: 3-methyl-N-[5-[7-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1a,2-dihydro-1H-azirino[2,3-b][1,5]naphthyridin-5-yl]-3-pyridinyl]butanamide
• SMILES: CC(C)CC(=O)Nc1cncc(-c2ccc3c(n2)C(c2nc4c(-c5cccnc5)cncc4[nH]2)=C2NC2N3)c1
• InChI: InChI=1S/C29H25N9O/c1-15(2)8-23(39)33-18-9-17(11-31-12-18)20-5-6-21-26(34-20)24(27-29(35-21)38-27)28-36-22-14-32-13-19(25(22)37-28)16-4-3-7-30-10-16/h3-7,9-15,29,35,38H,8H2,1-2H3,(H,33,39)(H,36,37)
• InChIKey: SCQBFWTZVZNHSA-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 143.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.58
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-[7-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1a,2-dihydro-1H-azirino[2,3-b][1,5]naphthyridin-5-yl]-3-pyridinyl]butanamide?

The IUPAC name of 3-methyl-N-[5-[7-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1a,2-dihydro-1H-azirino[2,3-b][1,5]naphthyridin-5-yl]-3-pyridinyl]butanamide (CID 145248728) is 3-methyl-N-[5-[7-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1a,2-dihydro-1H-azirino[2,3-b][1,5]naphthyridin-5-yl]-3-pyridinyl]butanamide.

What is the SMILES notation for 3-methyl-N-[5-[7-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1a,2-dihydro-1H-azirino[2,3-b][1,5]naphthyridin-5-yl]-3-pyridinyl]butanamide?

The canonical SMILES for 3-methyl-N-[5-[7-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1a,2-dihydro-1H-azirino[2,3-b][1,5]naphthyridin-5-yl]-3-pyridinyl]butanamide is CC(C)CC(=O)Nc1cncc(-c2ccc3c(n2)C(c2nc4c(-c5cccnc5)cncc4[nH]2)=C2NC2N3)c1.

What is the InChIKey of 3-methyl-N-[5-[7-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1a,2-dihydro-1H-azirino[2,3-b][1,5]naphthyridin-5-yl]-3-pyridinyl]butanamide?

The InChIKey is SCQBFWTZVZNHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N9O/c1-15(2)8-23(39)33-18-9-17(11-31-12-18)20-5-6-21-26(34-20)24(27-29(35-21)38-27)28-36-22-14-32-13-19(25(22)37-28)16-4-3-7-30-10-16/h3-7,9-15,29,35,38H,8H2,1-2H3,(H,33,39)(H,36,37).

What are the key properties of 3-methyl-N-[5-[7-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1a,2-dihydro-1H-azirino[2,3-b][1,5]naphthyridin-5-yl]-3-pyridinyl]butanamide?

3-methyl-N-[5-[7-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1a,2-dihydro-1H-azirino[2,3-b][1,5]naphthyridin-5-yl]-3-pyridinyl]butanamide has a molecular weight of 515.58 g/mol, XLogP of 4.58, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[5-[7-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1a,2-dihydro-1H-azirino[2,3-b][1,5]naphthyridin-5-yl]-3-pyridinyl]butanamide is sourced from PubChem (CID 145248728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).