5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide

C24H22F2N6O — CID 166806625

IUPAC5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide
SMILESCNC(=O)c1cc2ncccc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
InChIInChI=1S/C24H22F2N6O/c1-27-24(33)20-11-19-16(6-3-7-28-19)23(30-20)32-8-4-5-14-9-17(15-12-29-31(2)13-15)18(22(25)26)10-21(14)32/h3,6-7,9-13,22H,4-5,8H2,1-2H3,(H,27,33)
InChIKeyUHYJLPZPIUGGFG-UHFFFAOYSA-N
MW448.48 g/mol
LogP4.41
Rot. Bonds4

About 5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide

5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide (PubChem CID 166806625) has the molecular formula C24H22F2N6O and a molecular weight of 448.48 g/mol. Its IUPAC name is 5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide
PubChem CID166806625
Molecular FormulaC24H22F2N6O
Molecular Weight448.48 g/mol
Exact Mass448.18
IUPAC Name5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide
SMILESCNC(=O)c1cc2ncccc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
InChIInChI=1S/C24H22F2N6O/c1-27-24(33)20-11-19-16(6-3-7-28-19)23(30-20)32-8-4-5-14-9-17(15-12-29-31(2)13-15)18(22(25)26)10-21(14)32/h3,6-7,9-13,22H,4-5,8H2,1-2H3,(H,27,33)
InChIKeyUHYJLPZPIUGGFG-UHFFFAOYSA-N
XLogP4.41
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide (CID 166806625) is 5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide is CNC(=O)c1cc2ncccc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1.
What is the InChIKey of 5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide?
The InChIKey is UHYJLPZPIUGGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O/c1-27-24(33)20-11-19-16(6-3-7-28-19)23(30-20)32-8-4-5-14-9-17(15-12-29-31(2)13-15)18(22(25)26)10-21(14)32/h3,6-7,9-13,22H,4-5,8H2,1-2H3,(H,27,33).
What are the key properties of 5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide?
5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide has a molecular weight of 448.48 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 166806625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).