N-[[2-(3-bromo-4-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide

C24H18BrFN6O2 — CID 166682247

IUPACN-[[2-(3-bromo-4-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide
SMILESCC1(C#N)COCc2ccc(C(=O)NCc3cc4nc(-n5cc(F)c(Br)n5)ccc4cn3)cc21
InChIInChI=1S/C24H18BrFN6O2/c1-24(12-27)13-34-11-16-3-2-14(6-18(16)24)23(33)29-9-17-7-20-15(8-28-17)4-5-21(30-20)32-10-19(26)22(25)31-32/h2-8,10H,9,11,13H2,1H3,(H,29,33)
InChIKeyJLXDFILLZCGHNH-UHFFFAOYSA-N
MW521.35 g/mol
LogP3.96
Rot. Bonds4

About N-[[2-(3-bromo-4-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide

N-[[2-(3-bromo-4-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide (PubChem CID 166682247) has the molecular formula C24H18BrFN6O2 and a molecular weight of 521.35 g/mol. Its IUPAC name is N-[[2-(3-bromo-4-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide.

Molecular Properties

Compound NameN-[[2-(3-bromo-4-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide
PubChem CID166682247
Molecular FormulaC24H18BrFN6O2
Molecular Weight521.35 g/mol
Exact Mass520.07
IUPAC NameN-[[2-(3-bromo-4-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide
SMILESCC1(C#N)COCc2ccc(C(=O)NCc3cc4nc(-n5cc(F)c(Br)n5)ccc4cn3)cc21
InChIInChI=1S/C24H18BrFN6O2/c1-24(12-27)13-34-11-16-3-2-14(6-18(16)24)23(33)29-9-17-7-20-15(8-28-17)4-5-21(30-20)32-10-19(26)22(25)31-32/h2-8,10H,9,11,13H2,1H3,(H,29,33)
InChIKeyJLXDFILLZCGHNH-UHFFFAOYSA-N
XLogP3.96
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[2-(3-bromo-4-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide 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

(4R)-4-cyano-4-methyl-N-[(2-piperidin-1-yl-1,6-naphthyridin-7-yl)methyl]-1,3-dihydroisochromene-6-carboxamide
CID 156819106
N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide
CID 166682193
(4R)-4-cyano-N-[[2-[1-(2,2-difluoroethyl)indol-4-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide
CID 168723643
(4R)-4-cyano-N-[[2-[3-(difluoromethoxy)-1-(oxetan-3-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide
CID 168723467
4-cyano-N-[[2-(7-fluoro-1,2-dimethylindol-4-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide
CID 166682165
(4R)-4-cyano-4-methyl-N-[[2-(6-morpholin-4-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide
CID 168723825
(4R)-4-cyano-4-methyl-N-[[2-(1-methylindazol-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide
CID 156819482
(4R)-4-cyano-4-methyl-N-[[2-[2-(oxan-4-yl)pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide
CID 168723718
(4R)-4-cyano-4-methyl-N-[[2-(2-morpholin-4-ylpyrimidin-4-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide
CID 168723485
(4R)-4-cyano-N-[[2-(4-methoxy-3-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide
CID 168723457
(4R)-4-cyano-4-methyl-N-[[2-(1-propan-2-ylindol-4-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide
CID 168723753
(4R)-4-cyano-N-[[2-[2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide
CID 168723733

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromo-4-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide?
The IUPAC name of N-[[2-(3-bromo-4-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide (CID 166682247) is N-[[2-(3-bromo-4-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide.
What is the SMILES notation for N-[[2-(3-bromo-4-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide?
The canonical SMILES for N-[[2-(3-bromo-4-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide is CC1(C#N)COCc2ccc(C(=O)NCc3cc4nc(-n5cc(F)c(Br)n5)ccc4cn3)cc21.
What is the InChIKey of N-[[2-(3-bromo-4-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide?
The InChIKey is JLXDFILLZCGHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrFN6O2/c1-24(12-27)13-34-11-16-3-2-14(6-18(16)24)23(33)29-9-17-7-20-15(8-28-17)4-5-21(30-20)32-10-19(26)22(25)31-32/h2-8,10H,9,11,13H2,1H3,(H,29,33).
What are the key properties of N-[[2-(3-bromo-4-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide?
N-[[2-(3-bromo-4-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide has a molecular weight of 521.35 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromo-4-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide is sourced from PubChem (CID 166682247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).