7-[[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-2-methyl-3H-isoindol-1-one

C19H19FN6O — CID 138524606

IUPAC7-[[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-2-methyl-3H-isoindol-1-one
SMILESCC(CF)n1cnnc1-c1cccc(Nc2cccc3c2C(=O)N(C)C3)n1
InChIInChI=1S/C19H19FN6O/c1-12(9-20)26-11-21-24-18(26)15-7-4-8-16(23-15)22-14-6-3-5-13-10-25(2)19(27)17(13)14/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)
InChIKeyINJWSQOIMSDBIR-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.20
Rot. Bonds5

About 7-[[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-2-methyl-3H-isoindol-1-one

7-[[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-2-methyl-3H-isoindol-1-one (PubChem CID 138524606) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 7-[[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name7-[[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-2-methyl-3H-isoindol-1-one
PubChem CID138524606
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name7-[[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-2-methyl-3H-isoindol-1-one
SMILESCC(CF)n1cnnc1-c1cccc(Nc2cccc3c2C(=O)N(C)C3)n1
InChIInChI=1S/C19H19FN6O/c1-12(9-20)26-11-21-24-18(26)15-7-4-8-16(23-15)22-14-6-3-5-13-10-25(2)19(27)17(13)14/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)
InChIKeyINJWSQOIMSDBIR-UHFFFAOYSA-N
XLogP3.20
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-2-methyl-3H-isoindol-1-one with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[3-oxo-4-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-isoindol-2-yl]ethyl]acetamide
CID 138524558
7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]isoindol-1-one
CID 138524614
2-(hydroxymethyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
CID 138524585
2-(4-methylpiperazine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
CID 138524659
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
CID 138524565
7-[[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
CID 138524366
2-[3-[6-[(4-oxo-1H-quinolin-5-yl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propanenitrile
CID 138524519
7-[(3-chloro-2-hydroxypropyl)amino]-2-methyl-3H-isoindol-1-one
CID 168637149
methyl 4-oxo-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinoline-2-carboxylate
CID 138524624
2-(morpholine-4-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
CID 138524584
2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 155521986
8-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 157342036

Frequently Asked Questions

What is the IUPAC name of 7-[[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-2-methyl-3H-isoindol-1-one?
The IUPAC name of 7-[[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-2-methyl-3H-isoindol-1-one (CID 138524606) is 7-[[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 7-[[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 7-[[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-2-methyl-3H-isoindol-1-one is CC(CF)n1cnnc1-c1cccc(Nc2cccc3c2C(=O)N(C)C3)n1.
What is the InChIKey of 7-[[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-2-methyl-3H-isoindol-1-one?
The InChIKey is INJWSQOIMSDBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-12(9-20)26-11-21-24-18(26)15-7-4-8-16(23-15)22-14-6-3-5-13-10-25(2)19(27)17(13)14/h3-8,11-12H,9-10H2,1-2H3,(H,22,23).
What are the key properties of 7-[[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-2-methyl-3H-isoindol-1-one?
7-[[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-2-methyl-3H-isoindol-1-one has a molecular weight of 366.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 138524606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).