3-(3-tert-butyl-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide

C22H26N4O — CID 66671429

IUPAC3-(3-tert-butyl-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(C(C)(C)C)nnc2c1C
InChIInChI=1S/C22H26N4O/c1-13-6-7-15(20(27)23-16-8-9-16)12-18(13)17-10-11-26-19(14(17)2)24-25-21(26)22(3,4)5/h6-7,10-12,16H,8-9H2,1-5H3,(H,23,27)
InChIKeyHMLJFUQDESDZAM-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.20
Rot. Bonds3

About 3-(3-tert-butyl-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide

3-(3-tert-butyl-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide (PubChem CID 66671429) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 3-(3-tert-butyl-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-(3-tert-butyl-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide
PubChem CID66671429
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name3-(3-tert-butyl-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(C(C)(C)C)nnc2c1C
InChIInChI=1S/C22H26N4O/c1-13-6-7-15(20(27)23-16-8-9-16)12-18(13)17-10-11-26-19(14(17)2)24-25-21(26)22(3,4)5/h6-7,10-12,16H,8-9H2,1-5H3,(H,23,27)
InChIKeyHMLJFUQDESDZAM-UHFFFAOYSA-N
XLogP4.20
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-tert-butyl-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide with MolForge

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Related Compounds

4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid
CID 91397175
N-cyclopropyl-3-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-4-methylbenzamide
CID 156904443
3-[2-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4-methylbenzamide
CID 11314984
3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 134328481
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-[3-(2-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide
CID 66671352
N-cyclopropyl-4-methyl-3-[4-methyl-3-(methyliminomethyl)phenyl]benzamide
CID 142855177
3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide
CID 58919712
3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
CID 134328476
3-tert-butyl-N-cyclopropylbenzamide
CID 59732225
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
N-cyclopropyl-3-methylbenzimidazole-5-carboxamide
CID 110469101

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-(3-tert-butyl-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide (CID 66671429) is 3-(3-tert-butyl-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-(3-tert-butyl-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-(3-tert-butyl-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(C(C)(C)C)nnc2c1C.
What is the InChIKey of 3-(3-tert-butyl-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide?
The InChIKey is HMLJFUQDESDZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-13-6-7-15(20(27)23-16-8-9-16)12-18(13)17-10-11-26-19(14(17)2)24-25-21(26)22(3,4)5/h6-7,10-12,16H,8-9H2,1-5H3,(H,23,27).
What are the key properties of 3-(3-tert-butyl-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide?
3-(3-tert-butyl-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide has a molecular weight of 362.48 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 66671429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).