7-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carbonyl]-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

C24H26FN3O3 — CID 176501688

IUPAC7-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carbonyl]-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESNC(=O)c1c2c(cn(-c3ccc(F)cc3)c1=O)CN(C(=O)[C@H]1CC[C@@H]3CCC[C@@H]31)CC2
InChIInChI=1S/C24H26FN3O3/c25-16-5-7-17(8-6-16)28-13-15-12-27(11-10-19(15)21(22(26)29)24(28)31)23(30)20-9-4-14-2-1-3-18(14)20/h5-8,13-14,18,20H,1-4,9-12H2,(H2,26,29)/t14-,18-,20-/m0/s1
InChIKeyIZAHEBYRCIHVRA-DCPHZVHLSA-N
MW423.49 g/mol
LogP2.79
Rot. Bonds3

About 7-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carbonyl]-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

7-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carbonyl]-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (PubChem CID 176501688) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 7-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carbonyl]-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name7-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carbonyl]-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
PubChem CID176501688
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name7-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carbonyl]-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESNC(=O)c1c2c(cn(-c3ccc(F)cc3)c1=O)CN(C(=O)[C@H]1CC[C@@H]3CCC[C@@H]31)CC2
InChIInChI=1S/C24H26FN3O3/c25-16-5-7-17(8-6-16)28-13-15-12-27(11-10-19(15)21(22(26)29)24(28)31)23(30)20-9-4-14-2-1-3-18(14)20/h5-8,13-14,18,20H,1-4,9-12H2,(H2,26,29)/t14-,18-,20-/m0/s1
InChIKeyIZAHEBYRCIHVRA-DCPHZVHLSA-N
XLogP2.79
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carbonyl]-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide with MolForge

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Related Compounds

7-[1-(difluoromethyl)pyrrole-2-carbonyl]-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 176500430
7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 176503901
7-(4,6-dimethylpyrimidine-5-carbonyl)-2-(4-fluorophenyl)-N-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 176505931
2-(4-fluorophenyl)-3,8-dioxo-6,7-dihydro-5H-isoquinoline-4-carboxylic acid
CID 50742384
1-(4-fluorophenyl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one
CID 75377385
7-[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 129338200
7-(2-fluorobenzoyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridin-3-one
CID 176501214
(9-amino-3-bicyclo[3.3.1]nonanyl)-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 120990503
[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-[(1R,5S)-9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl]methanone
CID 129432946
1-(4-fluorophenyl)-4,5,6-trimethyl-2-oxopyridine-3-carboxamide
CID 175771096
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(4-fluorophenyl)pyrrole-3-carbonitrile
CID 42748337
3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 172672652

Frequently Asked Questions

What is the IUPAC name of 7-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carbonyl]-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The IUPAC name of 7-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carbonyl]-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (CID 176501688) is 7-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carbonyl]-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.
What is the SMILES notation for 7-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carbonyl]-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The canonical SMILES for 7-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carbonyl]-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is NC(=O)c1c2c(cn(-c3ccc(F)cc3)c1=O)CN(C(=O)[C@H]1CC[C@@H]3CCC[C@@H]31)CC2.
What is the InChIKey of 7-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carbonyl]-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The InChIKey is IZAHEBYRCIHVRA-DCPHZVHLSA-N. The full InChI is InChI=1S/C24H26FN3O3/c25-16-5-7-17(8-6-16)28-13-15-12-27(11-10-19(15)21(22(26)29)24(28)31)23(30)20-9-4-14-2-1-3-18(14)20/h5-8,13-14,18,20H,1-4,9-12H2,(H2,26,29)/t14-,18-,20-/m0/s1.
What are the key properties of 7-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carbonyl]-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
7-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carbonyl]-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carbonyl]-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is sourced from PubChem (CID 176501688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).