(1S)-2,2-difluoro-N-[3-(5-fluoro-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide

C19H15F3N4O2 — CID 167188299

IUPAC(1S)-2,2-difluoro-N-[3-(5-fluoro-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
SMILESCc1c(F)cncc1-c1cc2cnc(NC(=O)[C@@H]3CC3(F)F)cc2n(C)c1=O
InChIInChI=1S/C19H15F3N4O2/c1-9-12(7-23-8-14(9)20)11-3-10-6-24-16(4-15(10)26(2)18(11)28)25-17(27)13-5-19(13,21)22/h3-4,6-8,13H,5H2,1-2H3,(H,24,25,27)/t13-/m0/s1
InChIKeyWIAJXFBWCZVCDX-ZDUSSCGKSA-N
MW388.35 g/mol
LogP3.04
Rot. Bonds3

About (1S)-2,2-difluoro-N-[3-(5-fluoro-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide

(1S)-2,2-difluoro-N-[3-(5-fluoro-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (PubChem CID 167188299) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is (1S)-2,2-difluoro-N-[3-(5-fluoro-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-difluoro-N-[3-(5-fluoro-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
PubChem CID167188299
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name(1S)-2,2-difluoro-N-[3-(5-fluoro-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
SMILESCc1c(F)cncc1-c1cc2cnc(NC(=O)[C@@H]3CC3(F)F)cc2n(C)c1=O
InChIInChI=1S/C19H15F3N4O2/c1-9-12(7-23-8-14(9)20)11-3-10-6-24-16(4-15(10)26(2)18(11)28)25-17(27)13-5-19(13,21)22/h3-4,6-8,13H,5H2,1-2H3,(H,24,25,27)/t13-/m0/s1
InChIKeyWIAJXFBWCZVCDX-ZDUSSCGKSA-N
XLogP3.04
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-2,2-difluoro-N-[3-(5-fluoro-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-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 (1S)-2,2-difluoro-N-[3-(5-fluoro-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-difluoro-N-[3-(5-fluoro-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (CID 167188299) is (1S)-2,2-difluoro-N-[3-(5-fluoro-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-difluoro-N-[3-(5-fluoro-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-difluoro-N-[3-(5-fluoro-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is Cc1c(F)cncc1-c1cc2cnc(NC(=O)[C@@H]3CC3(F)F)cc2n(C)c1=O.
What is the InChIKey of (1S)-2,2-difluoro-N-[3-(5-fluoro-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The InChIKey is WIAJXFBWCZVCDX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-9-12(7-23-8-14(9)20)11-3-10-6-24-16(4-15(10)26(2)18(11)28)25-17(27)13-5-19(13,21)22/h3-4,6-8,13H,5H2,1-2H3,(H,24,25,27)/t13-/m0/s1.
What are the key properties of (1S)-2,2-difluoro-N-[3-(5-fluoro-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
(1S)-2,2-difluoro-N-[3-(5-fluoro-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-difluoro-N-[3-(5-fluoro-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 167188299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).