N-[5-[4-[7-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-quinolin-6-yl]-3-pyridinyl]-3-methylbutanamide

C31H24F2N6O — CID 129126537

About N-[5-[4-[7-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-quinolin-6-yl]-3-pyridinyl]-3-methylbutanamide

N-[5-[4-[7-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-quinolin-6-yl]-3-pyridinyl]-3-methylbutanamide (PubChem CID 129126537) has the molecular formula C31H24F2N6O and a molecular weight of 534.57 g/mol. Its IUPAC name is N-[5-[4-[7-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-quinolin-6-yl]-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

• Compound Name: N-[5-[4-[7-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-quinolin-6-yl]-3-pyridinyl]-3-methylbutanamide
• PubChem CID: 129126537
• Molecular Formula: C31H24F2N6O
• Molecular Weight: 534.57 g/mol
• Exact Mass: 534.20
• IUPAC Name: N-[5-[4-[7-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-quinolin-6-yl]-3-pyridinyl]-3-methylbutanamide
• SMILES: CC(C)CC(=O)Nc1cncc(-c2ccc3c(c2)C(c2nc4c(-c5cccc(F)c5F)cncc4[nH]2)=C=CN3)c1
• InChI: InChI=1S/C31H24F2N6O/c1-17(2)10-28(40)37-20-11-19(13-34-14-20)18-6-7-26-23(12-18)22(8-9-36-26)31-38-27-16-35-15-24(30(27)39-31)21-4-3-5-25(32)29(21)33/h3-7,9,11-17,36H,10H2,1-2H3,(H,37,40)(H,38,39)
• InChIKey: IQRRAAGYJCLMOD-UHFFFAOYSA-N
• XLogP: 6.92
• TPSA: 95.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.57
LogP ≤ 5	6.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[7-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-quinolin-6-yl]-3-pyridinyl]-3-methylbutanamide?

The IUPAC name of N-[5-[4-[7-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-quinolin-6-yl]-3-pyridinyl]-3-methylbutanamide (CID 129126537) is N-[5-[4-[7-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-quinolin-6-yl]-3-pyridinyl]-3-methylbutanamide.

What is the SMILES notation for N-[5-[4-[7-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-quinolin-6-yl]-3-pyridinyl]-3-methylbutanamide?

The canonical SMILES for N-[5-[4-[7-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-quinolin-6-yl]-3-pyridinyl]-3-methylbutanamide is CC(C)CC(=O)Nc1cncc(-c2ccc3c(c2)C(c2nc4c(-c5cccc(F)c5F)cncc4[nH]2)=C=CN3)c1.

What is the InChIKey of N-[5-[4-[7-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-quinolin-6-yl]-3-pyridinyl]-3-methylbutanamide?

The InChIKey is IQRRAAGYJCLMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F2N6O/c1-17(2)10-28(40)37-20-11-19(13-34-14-20)18-6-7-26-23(12-18)22(8-9-36-26)31-38-27-16-35-15-24(30(27)39-31)21-4-3-5-25(32)29(21)33/h3-7,9,11-17,36H,10H2,1-2H3,(H,37,40)(H,38,39).

What are the key properties of N-[5-[4-[7-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-quinolin-6-yl]-3-pyridinyl]-3-methylbutanamide?

N-[5-[4-[7-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-quinolin-6-yl]-3-pyridinyl]-3-methylbutanamide has a molecular weight of 534.57 g/mol, XLogP of 6.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-[7-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-quinolin-6-yl]-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 129126537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).