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

C22H25N5O3S — CID 138674138

IUPACN-[5-[4-[(3-ethylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)C1CN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1
InChIInChI=1S/C22H25N5O3S/c1-2-31(29,30)18-13-26(14-18)12-15-6-8-16(9-7-15)19-4-3-5-20-23-22(25-27(19)20)24-21(28)17-10-11-17/h3-9,17-18H,2,10-14H2,1H3,(H,24,25,28)
InChIKeyMMLIXTKMXKAECZ-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.36
Rot. Bonds7

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

N-[5-[4-[(3-ethylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 138674138) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[5-[4-[(3-ethylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[(3-ethylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID138674138
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC NameN-[5-[4-[(3-ethylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)C1CN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1
InChIInChI=1S/C22H25N5O3S/c1-2-31(29,30)18-13-26(14-18)12-15-6-8-16(9-7-15)19-4-3-5-20-23-22(25-27(19)20)24-21(28)17-10-11-17/h3-9,17-18H,2,10-14H2,1H3,(H,24,25,28)
InChIKeyMMLIXTKMXKAECZ-UHFFFAOYSA-N
XLogP2.36
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.36
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-ethylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[(3-ethylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 138674138) is N-[5-[4-[(3-ethylsulfonylazetidin-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-ethylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[(3-ethylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CCS(=O)(=O)C1CN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1.
What is the InChIKey of N-[5-[4-[(3-ethylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is MMLIXTKMXKAECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-2-31(29,30)18-13-26(14-18)12-15-6-8-16(9-7-15)19-4-3-5-20-23-22(25-27(19)20)24-21(28)17-10-11-17/h3-9,17-18H,2,10-14H2,1H3,(H,24,25,28).
What are the key properties of N-[5-[4-[(3-ethylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[(3-ethylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 439.54 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(3-ethylsulfonylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138674138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).