(1R)-N-[6-cyano-7-(4-methyl-6-propanoyl-3-pyridinyl)isoquinolin-3-yl]-2,2-difluorocyclopropane-1-carboxamide

C23H18F2N4O2 — CID 171556269

IUPAC(1R)-N-[6-cyano-7-(4-methyl-6-propanoyl-3-pyridinyl)isoquinolin-3-yl]-2,2-difluorocyclopropane-1-carboxamide
SMILESCCC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4CC4(F)F)cc3cc2C#N)cn1
InChIInChI=1S/C23H18F2N4O2/c1-3-20(30)19-4-12(2)17(11-27-19)16-6-15-10-28-21(7-13(15)5-14(16)9-26)29-22(31)18-8-23(18,24)25/h4-7,10-11,18H,3,8H2,1-2H3,(H,28,29,31)/t18-/m1/s1
InChIKeyJSGGTZIDTYLDPY-GOSISDBHSA-N
MW420.42 g/mol
LogP4.66
Rot. Bonds5

About (1R)-N-[6-cyano-7-(4-methyl-6-propanoyl-3-pyridinyl)isoquinolin-3-yl]-2,2-difluorocyclopropane-1-carboxamide

(1R)-N-[6-cyano-7-(4-methyl-6-propanoyl-3-pyridinyl)isoquinolin-3-yl]-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 171556269) has the molecular formula C23H18F2N4O2 and a molecular weight of 420.42 g/mol. Its IUPAC name is (1R)-N-[6-cyano-7-(4-methyl-6-propanoyl-3-pyridinyl)isoquinolin-3-yl]-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[6-cyano-7-(4-methyl-6-propanoyl-3-pyridinyl)isoquinolin-3-yl]-2,2-difluorocyclopropane-1-carboxamide
PubChem CID171556269
Molecular FormulaC23H18F2N4O2
Molecular Weight420.42 g/mol
Exact Mass420.14
IUPAC Name(1R)-N-[6-cyano-7-(4-methyl-6-propanoyl-3-pyridinyl)isoquinolin-3-yl]-2,2-difluorocyclopropane-1-carboxamide
SMILESCCC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4CC4(F)F)cc3cc2C#N)cn1
InChIInChI=1S/C23H18F2N4O2/c1-3-20(30)19-4-12(2)17(11-27-19)16-6-15-10-28-21(7-13(15)5-14(16)9-26)29-22(31)18-8-23(18,24)25/h4-7,10-11,18H,3,8H2,1-2H3,(H,28,29,31)/t18-/m1/s1
InChIKeyJSGGTZIDTYLDPY-GOSISDBHSA-N
XLogP4.66
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-N-[6-cyano-7-(4-methyl-6-propanoyl-3-pyridinyl)isoquinolin-3-yl]-2,2-difluorocyclopropane-1-carboxamide with MolForge

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Related Compounds

(1R)-2,2-difluoro-N-[1-methyl-3-(4-methyl-6-propanoyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123829
N-[5-[(Z)-2-aminoethenyl]-7-(4-methyl-6-propanoyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 170967852
(1R)-N-[2-amino-3-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 171555408
6-(4-methyl-6-propanoyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile
CID 157348012
cis-(1R,2R)-2-fluoro-N-[4-(4-methyl-6-propanoyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
CID 170967989
cis-(1R,2R)-N-[7-(6-butanoyl-4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide
CID 171556020
(1R)-N-[2-ethyl-4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 174205511
N-[6-cyano-7-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]-4-methyl-1,2-dihydropyridin-5-yl]isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 171555725
(1S)-2,2-difluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 71115800
(1R)-N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 170968190
N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 170968332
(1R)-N-[2-cyclopropyl-4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 174205545

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[6-cyano-7-(4-methyl-6-propanoyl-3-pyridinyl)isoquinolin-3-yl]-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-[6-cyano-7-(4-methyl-6-propanoyl-3-pyridinyl)isoquinolin-3-yl]-2,2-difluorocyclopropane-1-carboxamide (CID 171556269) is (1R)-N-[6-cyano-7-(4-methyl-6-propanoyl-3-pyridinyl)isoquinolin-3-yl]-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-[6-cyano-7-(4-methyl-6-propanoyl-3-pyridinyl)isoquinolin-3-yl]-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-[6-cyano-7-(4-methyl-6-propanoyl-3-pyridinyl)isoquinolin-3-yl]-2,2-difluorocyclopropane-1-carboxamide is CCC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4CC4(F)F)cc3cc2C#N)cn1.
What is the InChIKey of (1R)-N-[6-cyano-7-(4-methyl-6-propanoyl-3-pyridinyl)isoquinolin-3-yl]-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is JSGGTZIDTYLDPY-GOSISDBHSA-N. The full InChI is InChI=1S/C23H18F2N4O2/c1-3-20(30)19-4-12(2)17(11-27-19)16-6-15-10-28-21(7-13(15)5-14(16)9-26)29-22(31)18-8-23(18,24)25/h4-7,10-11,18H,3,8H2,1-2H3,(H,28,29,31)/t18-/m1/s1.
What are the key properties of (1R)-N-[6-cyano-7-(4-methyl-6-propanoyl-3-pyridinyl)isoquinolin-3-yl]-2,2-difluorocyclopropane-1-carboxamide?
(1R)-N-[6-cyano-7-(4-methyl-6-propanoyl-3-pyridinyl)isoquinolin-3-yl]-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 420.42 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[6-cyano-7-(4-methyl-6-propanoyl-3-pyridinyl)isoquinolin-3-yl]-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 171556269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).