6-fluoro-2-(3-methoxypropanoyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide

C24H27FN6O3 — CID 135387901

IUPAC6-fluoro-2-(3-methoxypropanoyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESCOCCC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1
InChIInChI=1S/C24H27FN6O3/c1-15(2)31-14-26-29-23(31)20-5-4-6-21(27-20)28-24(33)18-11-17-13-30(22(32)8-10-34-3)9-7-16(17)12-19(18)25/h4-6,11-12,14-15H,7-10,13H2,1-3H3,(H,27,28,33)
InChIKeyXLALNWGGRGFMKQ-UHFFFAOYSA-N
MW466.52 g/mol
LogP3.23
Rot. Bonds7

About 6-fluoro-2-(3-methoxypropanoyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide

6-fluoro-2-(3-methoxypropanoyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide (PubChem CID 135387901) has the molecular formula C24H27FN6O3 and a molecular weight of 466.52 g/mol. Its IUPAC name is 6-fluoro-2-(3-methoxypropanoyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-(3-methoxypropanoyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
PubChem CID135387901
Molecular FormulaC24H27FN6O3
Molecular Weight466.52 g/mol
Exact Mass466.21
IUPAC Name6-fluoro-2-(3-methoxypropanoyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESCOCCC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1
InChIInChI=1S/C24H27FN6O3/c1-15(2)31-14-26-29-23(31)20-5-4-6-21(27-20)28-24(33)18-11-17-13-30(22(32)8-10-34-3)9-7-16(17)12-19(18)25/h4-6,11-12,14-15H,7-10,13H2,1-3H3,(H,27,28,33)
InChIKeyXLALNWGGRGFMKQ-UHFFFAOYSA-N
XLogP3.23
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-2-(3-methoxypropanoyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-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

N-ethyl-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)tetrazol-2-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide
CID 72699430
2-fluoro-N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-4-methylbenzamide
CID 134137100
2-fluoro-5-(1-methyl-1H-pyrazol-3-yl)-N-(2-((2-oxo-1,3-oxazinan-3-yl)methyl)-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 118393267
N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-5-isoquinoline-carboxamide
CID 118538624
N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)isoquinoline-6-carboxamide
CID 118538840
N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)isoquinoline-7-carbox-amide
CID 118538919
N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)benzamide
CID 134154870
3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 145993521
2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 155521986
USRE48711, Example 224
CID 58102973
N-(5-(2-ethyl-5-(2-methyl-2H-tetrazol-5-yl)phenyl)pyrazin-2-yl)-5-fluoro-4-methylnicotinamide
CID 71010081
US9718828, Example, 280
CID 71222603

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(3-methoxypropanoyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The IUPAC name of 6-fluoro-2-(3-methoxypropanoyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide (CID 135387901) is 6-fluoro-2-(3-methoxypropanoyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide.
What is the SMILES notation for 6-fluoro-2-(3-methoxypropanoyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The canonical SMILES for 6-fluoro-2-(3-methoxypropanoyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide is COCCC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1.
What is the InChIKey of 6-fluoro-2-(3-methoxypropanoyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The InChIKey is XLALNWGGRGFMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O3/c1-15(2)31-14-26-29-23(31)20-5-4-6-21(27-20)28-24(33)18-11-17-13-30(22(32)8-10-34-3)9-7-16(17)12-19(18)25/h4-6,11-12,14-15H,7-10,13H2,1-3H3,(H,27,28,33).
What are the key properties of 6-fluoro-2-(3-methoxypropanoyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide?
6-fluoro-2-(3-methoxypropanoyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide has a molecular weight of 466.52 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(3-methoxypropanoyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide is sourced from PubChem (CID 135387901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).