N-[5-[5-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-7,8-dihydro-1,6-naphthyridin-3-yl]-3-pyridinyl]-2-methylpropanamide

C29H24FN7O — CID 123879559

About N-[5-[5-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-7,8-dihydro-1,6-naphthyridin-3-yl]-3-pyridinyl]-2-methylpropanamide

N-[5-[5-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-7,8-dihydro-1,6-naphthyridin-3-yl]-3-pyridinyl]-2-methylpropanamide (PubChem CID 123879559) has the molecular formula C29H24FN7O and a molecular weight of 505.56 g/mol. Its IUPAC name is N-[5-[5-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-7,8-dihydro-1,6-naphthyridin-3-yl]-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[5-[5-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-7,8-dihydro-1,6-naphthyridin-3-yl]-3-pyridinyl]-2-methylpropanamide
• PubChem CID: 123879559
• Molecular Formula: C29H24FN7O
• Molecular Weight: 505.56 g/mol
• Exact Mass: 505.20
• IUPAC Name: N-[5-[5-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-7,8-dihydro-1,6-naphthyridin-3-yl]-3-pyridinyl]-2-methylpropanamide
• SMILES: CC(C)C(=O)Nc1cncc(-c2cnc3c(c2)C(c2nc4c(-c5ccc(F)cc5)cncc4[nH]2)=NCC3)c1
• InChI: InChI=1S/C29H24FN7O/c1-16(2)29(38)35-21-9-18(11-31-13-21)19-10-22-24(34-12-19)7-8-33-27(22)28-36-25-15-32-14-23(26(25)37-28)17-3-5-20(30)6-4-17/h3-6,9-16H,7-8H2,1-2H3,(H,35,38)(H,36,37)
• InChIKey: VUAWFEDKRAYULK-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 108.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.56
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-7,8-dihydro-1,6-naphthyridin-3-yl]-3-pyridinyl]-2-methylpropanamide?

The IUPAC name of N-[5-[5-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-7,8-dihydro-1,6-naphthyridin-3-yl]-3-pyridinyl]-2-methylpropanamide (CID 123879559) is N-[5-[5-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-7,8-dihydro-1,6-naphthyridin-3-yl]-3-pyridinyl]-2-methylpropanamide.

What is the SMILES notation for N-[5-[5-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-7,8-dihydro-1,6-naphthyridin-3-yl]-3-pyridinyl]-2-methylpropanamide?

The canonical SMILES for N-[5-[5-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-7,8-dihydro-1,6-naphthyridin-3-yl]-3-pyridinyl]-2-methylpropanamide is CC(C)C(=O)Nc1cncc(-c2cnc3c(c2)C(c2nc4c(-c5ccc(F)cc5)cncc4[nH]2)=NCC3)c1.

What is the InChIKey of N-[5-[5-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-7,8-dihydro-1,6-naphthyridin-3-yl]-3-pyridinyl]-2-methylpropanamide?

The InChIKey is VUAWFEDKRAYULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN7O/c1-16(2)29(38)35-21-9-18(11-31-13-21)19-10-22-24(34-12-19)7-8-33-27(22)28-36-25-15-32-14-23(26(25)37-28)17-3-5-20(30)6-4-17/h3-6,9-16H,7-8H2,1-2H3,(H,35,38)(H,36,37).

What are the key properties of N-[5-[5-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-7,8-dihydro-1,6-naphthyridin-3-yl]-3-pyridinyl]-2-methylpropanamide?

N-[5-[5-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-7,8-dihydro-1,6-naphthyridin-3-yl]-3-pyridinyl]-2-methylpropanamide has a molecular weight of 505.56 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-7,8-dihydro-1,6-naphthyridin-3-yl]-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 123879559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).