2-butanoyl-6-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-dihydroisoindole-5-carboxamide

C23H25FN6O2 — CID 149483145

IUPAC2-butanoyl-6-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-dihydroisoindole-5-carboxamide
SMILESCCCC(=O)N1Cc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1
InChIInChI=1S/C23H25FN6O2/c1-4-6-21(31)29-11-15-9-17(18(24)10-16(15)12-29)23(32)27-20-8-5-7-19(26-20)22-28-25-13-30(22)14(2)3/h5,7-10,13-14H,4,6,11-12H2,1-3H3,(H,26,27,32)
InChIKeyZDQRAZQSHZKETL-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.95
Rot. Bonds6

About 2-butanoyl-6-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-dihydroisoindole-5-carboxamide

2-butanoyl-6-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-dihydroisoindole-5-carboxamide (PubChem CID 149483145) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-butanoyl-6-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-dihydroisoindole-5-carboxamide.

Molecular Properties

Compound Name2-butanoyl-6-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-dihydroisoindole-5-carboxamide
PubChem CID149483145
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC Name2-butanoyl-6-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-dihydroisoindole-5-carboxamide
SMILESCCCC(=O)N1Cc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1
InChIInChI=1S/C23H25FN6O2/c1-4-6-21(31)29-11-15-9-17(18(24)10-16(15)12-29)23(32)27-20-8-5-7-19(26-20)22-28-25-13-30(22)14(2)3/h5,7-10,13-14H,4,6,11-12H2,1-3H3,(H,26,27,32)
InChIKeyZDQRAZQSHZKETL-UHFFFAOYSA-N
XLogP3.95
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-butanoyl-6-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-dihydroisoindole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-butanoyl-6-fluoro-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1,3-dihydroisoindole-5-carboxamide
CID 158597616
6-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride
CID 146564819
6-fluoro-7-[[6-[4-(1-hydroxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 146564805
2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 155521986
6-fluoro-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-2-propylsulfonyl-3,4-dihydro-1H-isoquinoline-7-carboxamide;methane
CID 162045894
4-fluoro-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-N-pyridazin-3-ylbenzene-1,3-dicarboxamide
CID 135347910
3-cyclopropyl-8-fluoro-5-(2-methylpropanoyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-4,6-dihydroimidazo[1,5-a][1,4]benzodiazepine-9-carboxamide
CID 139310088
N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyrimidine-2-carboxamide
CID 135347714
N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyridine-4-carboxamide
CID 135348160
2-butanoyl-N-[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-fluoro-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 162160958
4-fluoro-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-N-pyridazin-4-ylbenzene-1,3-dicarboxamide
CID 135347720
4-fluoro-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-N-pyrimidin-5-ylbenzene-1,3-dicarboxamide
CID 135347726

Frequently Asked Questions

What is the IUPAC name of 2-butanoyl-6-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-dihydroisoindole-5-carboxamide?
The IUPAC name of 2-butanoyl-6-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-dihydroisoindole-5-carboxamide (CID 149483145) is 2-butanoyl-6-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-dihydroisoindole-5-carboxamide.
What is the SMILES notation for 2-butanoyl-6-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-dihydroisoindole-5-carboxamide?
The canonical SMILES for 2-butanoyl-6-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-dihydroisoindole-5-carboxamide is CCCC(=O)N1Cc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1.
What is the InChIKey of 2-butanoyl-6-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-dihydroisoindole-5-carboxamide?
The InChIKey is ZDQRAZQSHZKETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2/c1-4-6-21(31)29-11-15-9-17(18(24)10-16(15)12-29)23(32)27-20-8-5-7-19(26-20)22-28-25-13-30(22)14(2)3/h5,7-10,13-14H,4,6,11-12H2,1-3H3,(H,26,27,32).
What are the key properties of 2-butanoyl-6-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-dihydroisoindole-5-carboxamide?
2-butanoyl-6-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-dihydroisoindole-5-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butanoyl-6-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-dihydroisoindole-5-carboxamide is sourced from PubChem (CID 149483145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).