tert-butyl 7-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

C25H25FN4O4 — CID 69109610

IUPACtert-butyl 7-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2cccnc2CC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C25H25FN4O4/c1-25(2,3)34-24(33)30-15-16-7-6-11-27-20(16)14-21(30)23(32)28-19-10-9-17(13-18(19)26)29-12-5-4-8-22(29)31/h4-13,21H,14-15H2,1-3H3,(H,28,32)
InChIKeyGDHGVQMWDAQCCW-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.67
Rot. Bonds3

About tert-butyl 7-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

tert-butyl 7-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (PubChem CID 69109610) has the molecular formula C25H25FN4O4 and a molecular weight of 464.50 g/mol. Its IUPAC name is tert-butyl 7-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
PubChem CID69109610
Molecular FormulaC25H25FN4O4
Molecular Weight464.50 g/mol
Exact Mass464.19
IUPAC Nametert-butyl 7-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2cccnc2CC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C25H25FN4O4/c1-25(2,3)34-24(33)30-15-16-7-6-11-27-20(16)14-21(30)23(32)28-19-10-9-17(13-18(19)26)29-12-5-4-8-22(29)31/h4-13,21H,14-15H2,1-3H3,(H,28,32)
InChIKeyGDHGVQMWDAQCCW-UHFFFAOYSA-N
XLogP3.67
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 7-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl 1-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1,3-dihydroisoindole-2-carboxylate
CID 68747945
tert-butyl (3R,4R)-3-acetyl-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 59800163
tert-butyl (4S)-4-amino-2-[[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 70966238
tert-butyl 7-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 142416957
tert-butyl 3-[(2,6-difluorophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 90040706
trans-(1S,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid
CID 66882265
(4R)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
CID 69109043
(1R,3S,4S)-3-amino-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1-carboxamide
CID 68687455
(1S,3S,4S)-3-amino-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1-carboxamide
CID 68686790
tert-butyl (2S,4R)-2-[(2-fluorophenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 41373933
ethyl 4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate
CID 69114943
(1S,3S,4S)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1,3-dicarboxamide
CID 68686788

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The IUPAC name of tert-butyl 7-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (CID 69109610) is tert-butyl 7-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 7-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The canonical SMILES for tert-butyl 7-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is CC(C)(C)OC(=O)N1Cc2cccnc2CC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F.
What is the InChIKey of tert-butyl 7-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The InChIKey is GDHGVQMWDAQCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O4/c1-25(2,3)34-24(33)30-15-16-7-6-11-27-20(16)14-21(30)23(32)28-19-10-9-17(13-18(19)26)29-12-5-4-8-22(29)31/h4-13,21H,14-15H2,1-3H3,(H,28,32).
What are the key properties of tert-butyl 7-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
tert-butyl 7-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate has a molecular weight of 464.50 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is sourced from PubChem (CID 69109610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).