1-cyclopropyl-N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide

C23H23N5O3S — CID 53234898

IUPAC1-cyclopropyl-N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide
SMILESCOc1ccccc1Nc1nc2ccc(-c3cccc(NS(=O)(=O)CC4CC4)c3)cn2n1
InChIInChI=1S/C23H23N5O3S/c1-31-21-8-3-2-7-20(21)24-23-25-22-12-11-18(14-28(22)26-23)17-5-4-6-19(13-17)27-32(29,30)15-16-9-10-16/h2-8,11-14,16,27H,9-10,15H2,1H3,(H,24,26)
InChIKeyXRPHQZOVMNFUPO-UHFFFAOYSA-N
MW449.54 g/mol
LogP4.30
Rot. Bonds8

About 1-cyclopropyl-N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide

1-cyclopropyl-N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide (PubChem CID 53234898) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is 1-cyclopropyl-N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide
PubChem CID53234898
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC Name1-cyclopropyl-N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide
SMILESCOc1ccccc1Nc1nc2ccc(-c3cccc(NS(=O)(=O)CC4CC4)c3)cn2n1
InChIInChI=1S/C23H23N5O3S/c1-31-21-8-3-2-7-20(21)24-23-25-22-12-11-18(14-28(22)26-23)17-5-4-6-19(13-17)27-32(29,30)15-16-9-10-16/h2-8,11-14,16,27H,9-10,15H2,1H3,(H,24,26)
InChIKeyXRPHQZOVMNFUPO-UHFFFAOYSA-N
XLogP4.30
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide (CID 53234898) is 1-cyclopropyl-N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide is COc1ccccc1Nc1nc2ccc(-c3cccc(NS(=O)(=O)CC4CC4)c3)cn2n1.
What is the InChIKey of 1-cyclopropyl-N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide?
The InChIKey is XRPHQZOVMNFUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-31-21-8-3-2-7-20(21)24-23-25-22-12-11-18(14-28(22)26-23)17-5-4-6-19(13-17)27-32(29,30)15-16-9-10-16/h2-8,11-14,16,27H,9-10,15H2,1H3,(H,24,26).
What are the key properties of 1-cyclopropyl-N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide?
1-cyclopropyl-N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide has a molecular weight of 449.54 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 53234898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).