N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

C34H26F2N4O3S — CID 166348048

About N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 166348048) has the molecular formula C34H26F2N4O3S and a molecular weight of 608.67 g/mol. Its IUPAC name is N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
• PubChem CID: 166348048
• Molecular Formula: C34H26F2N4O3S
• Molecular Weight: 608.67 g/mol
• Exact Mass: 608.17
• IUPAC Name: N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
• SMILES: O=C(NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn12)C1Cc2ccccc2CN1S(=O)(=O)c1ccc2ccccc2c1
• InChI: InChI=1S/C34H26F2N4O3S/c35-27-12-9-23(10-13-27)33-31(39-21-28(36)14-16-32(39)38-33)19-37-34(41)30-18-25-7-3-4-8-26(25)20-40(30)44(42,43)29-15-11-22-5-1-2-6-24(22)17-29/h1-17,21,30H,18-20H2,(H,37,41)
• InChIKey: GYEWJCOIUGMDDT-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 83.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.67
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?

The IUPAC name of N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 166348048) is N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.

What is the SMILES notation for N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?

The canonical SMILES for N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide is O=C(NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn12)C1Cc2ccccc2CN1S(=O)(=O)c1ccc2ccccc2c1.

What is the InChIKey of N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?

The InChIKey is GYEWJCOIUGMDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26F2N4O3S/c35-27-12-9-23(10-13-27)33-31(39-21-28(36)14-16-32(39)38-33)19-37-34(41)30-18-25-7-3-4-8-26(25)20-40(30)44(42,43)29-15-11-22-5-1-2-6-24(22)17-29/h1-17,21,30H,18-20H2,(H,37,41).

What are the key properties of N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?

N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 608.67 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 166348048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).