N-cyclopropyl-3-fluoro-4-methyl-5-[2-(oxan-4-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide

C22H23FN4O3 — CID 52932988

IUPACN-cyclopropyl-3-fluoro-4-methyl-5-[2-(oxan-4-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(=O)n(C3CCOCC3)nc2c1
InChIInChI=1S/C22H23FN4O3/c1-13-18(10-15(11-19(13)23)21(28)24-16-2-3-16)14-4-7-26-20(12-14)25-27(22(26)29)17-5-8-30-9-6-17/h4,7,10-12,16-17H,2-3,5-6,8-9H2,1H3,(H,24,28)
InChIKeyXGGYDCAHLXVSLI-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.85
Rot. Bonds4

About N-cyclopropyl-3-fluoro-4-methyl-5-[2-(oxan-4-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide

N-cyclopropyl-3-fluoro-4-methyl-5-[2-(oxan-4-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide (PubChem CID 52932988) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-4-methyl-5-[2-(oxan-4-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-4-methyl-5-[2-(oxan-4-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide
PubChem CID52932988
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC NameN-cyclopropyl-3-fluoro-4-methyl-5-[2-(oxan-4-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(=O)n(C3CCOCC3)nc2c1
InChIInChI=1S/C22H23FN4O3/c1-13-18(10-15(11-19(13)23)21(28)24-16-2-3-16)14-4-7-26-20(12-14)25-27(22(26)29)17-5-8-30-9-6-17/h4,7,10-12,16-17H,2-3,5-6,8-9H2,1H3,(H,24,28)
InChIKeyXGGYDCAHLXVSLI-UHFFFAOYSA-N
XLogP2.85
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-3-fluoro-4-methyl-5-(3-oxo-2-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide
CID 52932986
N-cyclopropyl-3-fluoro-4-methyl-5-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide
CID 25060362
N-cyclopropyl-3-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-5-fluoro-4-methylbenzamide
CID 25060357
N-cyclopropyl-3-fluoro-4-methyl-5-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide
CID 25060880
N-cyclopropyl-3-fluoro-4-methyl-5-[1-(4-morpholin-4-ylphenyl)indazol-5-yl]benzamide
CID 11518436
3-fluoro-2-methyl-5-(oxan-4-ylcarbamoyl)benzenesulfonyl chloride
CID 65370571
N-cyclopropyl-3-fluoro-4-methyl-5-[1-(4-morpholin-4-ylphenyl)indazol-5-yl]benzamide;formic acid
CID 131739050
N-cyclopropyl-3-(1-ethylsulfonylindazol-5-yl)-5-fluoro-4-methylbenzamide
CID 58656518
3-[2-(tert-butylamino)-1,3-benzothiazol-6-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 135283530
3-[4-(cyclohexylmethylamino)-3-fluorophenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 135283616
3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide
CID 118792986
tert-butyl N-[[4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]benzoyl]amino]carbamate
CID 69316615

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-[2-(oxan-4-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-[2-(oxan-4-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide (CID 52932988) is N-cyclopropyl-3-fluoro-4-methyl-5-[2-(oxan-4-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-4-methyl-5-[2-(oxan-4-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-4-methyl-5-[2-(oxan-4-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(=O)n(C3CCOCC3)nc2c1.
What is the InChIKey of N-cyclopropyl-3-fluoro-4-methyl-5-[2-(oxan-4-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide?
The InChIKey is XGGYDCAHLXVSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-13-18(10-15(11-19(13)23)21(28)24-16-2-3-16)14-4-7-26-20(12-14)25-27(22(26)29)17-5-8-30-9-6-17/h4,7,10-12,16-17H,2-3,5-6,8-9H2,1H3,(H,24,28).
What are the key properties of N-cyclopropyl-3-fluoro-4-methyl-5-[2-(oxan-4-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide?
N-cyclopropyl-3-fluoro-4-methyl-5-[2-(oxan-4-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide has a molecular weight of 410.45 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-4-methyl-5-[2-(oxan-4-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide is sourced from PubChem (CID 52932988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).