2-[3-(2-cyclopropyl-3,4-difluorophenyl)-5-methyloxolan-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

C23H21F2N3O3 — CID 176996323

IUPAC2-[3-(2-cyclopropyl-3,4-difluorophenyl)-5-methyloxolan-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCC1CC(c2ccc(F)c(F)c2C2CC2)C(c2cc(=O)c3c(C(N)=O)nccc3[nH]2)O1
InChIInChI=1S/C23H21F2N3O3/c1-10-8-13(12-4-5-14(24)20(25)18(12)11-2-3-11)22(31-10)16-9-17(29)19-15(28-16)6-7-27-21(19)23(26)30/h4-7,9-11,13,22H,2-3,8H2,1H3,(H2,26,30)(H,28,29)
InChIKeyCMZPOBJYULUUJM-UHFFFAOYSA-N
MW425.44 g/mol
LogP3.81
Rot. Bonds4

About 2-[3-(2-cyclopropyl-3,4-difluorophenyl)-5-methyloxolan-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

2-[3-(2-cyclopropyl-3,4-difluorophenyl)-5-methyloxolan-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 176996323) has the molecular formula C23H21F2N3O3 and a molecular weight of 425.44 g/mol. Its IUPAC name is 2-[3-(2-cyclopropyl-3,4-difluorophenyl)-5-methyloxolan-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name2-[3-(2-cyclopropyl-3,4-difluorophenyl)-5-methyloxolan-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
PubChem CID176996323
Molecular FormulaC23H21F2N3O3
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC Name2-[3-(2-cyclopropyl-3,4-difluorophenyl)-5-methyloxolan-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCC1CC(c2ccc(F)c(F)c2C2CC2)C(c2cc(=O)c3c(C(N)=O)nccc3[nH]2)O1
InChIInChI=1S/C23H21F2N3O3/c1-10-8-13(12-4-5-14(24)20(25)18(12)11-2-3-11)22(31-10)16-9-17(29)19-15(28-16)6-7-27-21(19)23(26)30/h4-7,9-11,13,22H,2-3,8H2,1H3,(H2,26,30)(H,28,29)
InChIKeyCMZPOBJYULUUJM-UHFFFAOYSA-N
XLogP3.81
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R,3S,4S,5R)-3-(2-cyclopropyl-3,4-difluorophenyl)-4-methoxy-5-methyl-5-(trifluoromethyl)oxolan-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 176996343
2-[(1S,2S,4R)-2-(2-ethyl-3,4-difluorophenyl)-4-methylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192627
2-[(2S,3R,4R,5S)-3-(3-cyclopropyl-4-fluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 176996253
2-[2-(3,4-difluoro-2-methoxyphenyl)-4,4-dimethylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178085714
2-[(1R,2R,4R)-2-(3,4-difluoro-2-methylphenyl)-4-fluoro-4-methylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193328
2-[(5S)-2-(3,4-difluoro-2-methoxyphenyl)-5-(trifluoromethyl)cyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193271
2-[(1R,2R,4R)-4-tert-butyl-2-(3,4-difluoro-2-methoxyphenyl)cyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178085430
1,2-difluoro-3-methylbenzene;2-[(1S,4R)-4-ethyl-3,3-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192813
2-chloro-1-fluoro-3-methoxybenzene;2-(3-methylcyclopentyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178085740
1-chloro-2,3-difluorobenzene;2-(3-ethylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192269
2-[(2S,3R)-3-(3,4-difluoro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 176996397
2-[(1S)-3,3-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;2,3-difluorophenol
CID 177193245

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-cyclopropyl-3,4-difluorophenyl)-5-methyloxolan-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 2-[3-(2-cyclopropyl-3,4-difluorophenyl)-5-methyloxolan-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 176996323) is 2-[3-(2-cyclopropyl-3,4-difluorophenyl)-5-methyloxolan-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 2-[3-(2-cyclopropyl-3,4-difluorophenyl)-5-methyloxolan-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 2-[3-(2-cyclopropyl-3,4-difluorophenyl)-5-methyloxolan-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is CC1CC(c2ccc(F)c(F)c2C2CC2)C(c2cc(=O)c3c(C(N)=O)nccc3[nH]2)O1.
What is the InChIKey of 2-[3-(2-cyclopropyl-3,4-difluorophenyl)-5-methyloxolan-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The InChIKey is CMZPOBJYULUUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O3/c1-10-8-13(12-4-5-14(24)20(25)18(12)11-2-3-11)22(31-10)16-9-17(29)19-15(28-16)6-7-27-21(19)23(26)30/h4-7,9-11,13,22H,2-3,8H2,1H3,(H2,26,30)(H,28,29).
What are the key properties of 2-[3-(2-cyclopropyl-3,4-difluorophenyl)-5-methyloxolan-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
2-[3-(2-cyclopropyl-3,4-difluorophenyl)-5-methyloxolan-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 425.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-cyclopropyl-3,4-difluorophenyl)-5-methyloxolan-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 176996323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).