N-[5-[4-[(3-methylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C21H23N5O3S — CID 138674139

IUPACN-[5-[4-[(3-methylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCS(=O)(=O)C1CN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1
InChIInChI=1S/C21H23N5O3S/c1-30(28,29)17-12-25(13-17)11-14-5-7-15(8-6-14)18-3-2-4-19-22-21(24-26(18)19)23-20(27)16-9-10-16/h2-8,16-17H,9-13H2,1H3,(H,23,24,27)
InChIKeyZDGKPRHJLJIZGD-UHFFFAOYSA-N
MW425.51 g/mol
LogP1.97
Rot. Bonds6

About N-[5-[4-[(3-methylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[(3-methylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 138674139) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[5-[4-[(3-methylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[(3-methylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID138674139
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC NameN-[5-[4-[(3-methylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCS(=O)(=O)C1CN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1
InChIInChI=1S/C21H23N5O3S/c1-30(28,29)17-12-25(13-17)11-14-5-7-15(8-6-14)18-3-2-4-19-22-21(24-26(18)19)23-20(27)16-9-10-16/h2-8,16-17H,9-13H2,1H3,(H,23,24,27)
InChIKeyZDGKPRHJLJIZGD-UHFFFAOYSA-N
XLogP1.97
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(3-methylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[(3-methylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 138674139) is N-[5-[4-[(3-methylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[(3-methylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[(3-methylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CS(=O)(=O)C1CN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1.
What is the InChIKey of N-[5-[4-[(3-methylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is ZDGKPRHJLJIZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-30(28,29)17-12-25(13-17)11-14-5-7-15(8-6-14)18-3-2-4-19-22-21(24-26(18)19)23-20(27)16-9-10-16/h2-8,16-17H,9-13H2,1H3,(H,23,24,27).
What are the key properties of N-[5-[4-[(3-methylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[(3-methylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 425.51 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(3-methylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138674139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).