cyclopropyl 6-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

C23H24FN3O3 — CID 142580380

IUPACcyclopropyl 6-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESO=C(OC1CC1)N1CCCc2nc(C3(C(=O)Nc4ccc(F)cc4)CCC3)ccc21
InChIInChI=1S/C23H24FN3O3/c24-15-4-6-16(7-5-15)25-21(28)23(12-2-13-23)20-11-10-19-18(26-20)3-1-14-27(19)22(29)30-17-8-9-17/h4-7,10-11,17H,1-3,8-9,12-14H2,(H,25,28)
InChIKeyRYSULKOVPOSHBL-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.33
Rot. Bonds4

About cyclopropyl 6-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

cyclopropyl 6-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (PubChem CID 142580380) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is cyclopropyl 6-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.

Molecular Properties

Compound Namecyclopropyl 6-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
PubChem CID142580380
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Namecyclopropyl 6-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESO=C(OC1CC1)N1CCCc2nc(C3(C(=O)Nc4ccc(F)cc4)CCC3)ccc21
InChIInChI=1S/C23H24FN3O3/c24-15-4-6-16(7-5-15)25-21(28)23(12-2-13-23)20-11-10-19-18(26-20)3-1-14-27(19)22(29)30-17-8-9-17/h4-7,10-11,17H,1-3,8-9,12-14H2,(H,25,28)
InChIKeyRYSULKOVPOSHBL-UHFFFAOYSA-N
XLogP4.33
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclopropyl 6-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate with MolForge

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Related Compounds

1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide
CID 142580302
cyclopropyl 6-[1-[2-(4-chlorophenyl)acetyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 159733918
tert-butyl 6-[3-[(4-fluorophenyl)carbamoyl]oxetan-3-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 155093209
cyclopropyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 162649592
N-(4-fluorophenyl)-5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexane-5-carboxamide
CID 142580291
2-(4-fluorophenyl)-1-[1-[5-(oxane-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]ethanone
CID 159405619
cyclopentyl 6-[1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 142580192
4-fluoro-N-methylaniline;1-[5-(oxane-4-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutane-1-carbaldehyde
CID 142580386
N-(4-chlorophenyl)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutane-1-carboxamide
CID 155093046
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl]cyclobutane-1-carboxylic acid
CID 155093194
N-(4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide
CID 142580555
6-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
CID 155093205

Frequently Asked Questions

What is the IUPAC name of cyclopropyl 6-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The IUPAC name of cyclopropyl 6-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (CID 142580380) is cyclopropyl 6-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.
What is the SMILES notation for cyclopropyl 6-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The canonical SMILES for cyclopropyl 6-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is O=C(OC1CC1)N1CCCc2nc(C3(C(=O)Nc4ccc(F)cc4)CCC3)ccc21.
What is the InChIKey of cyclopropyl 6-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The InChIKey is RYSULKOVPOSHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c24-15-4-6-16(7-5-15)25-21(28)23(12-2-13-23)20-11-10-19-18(26-20)3-1-14-27(19)22(29)30-17-8-9-17/h4-7,10-11,17H,1-3,8-9,12-14H2,(H,25,28).
What are the key properties of cyclopropyl 6-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
cyclopropyl 6-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate has a molecular weight of 409.46 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 6-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is sourced from PubChem (CID 142580380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).