N-[5-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C20H25N7O4S — CID 44622201

IUPACN-[5-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1noc(C)c1S(=O)(=O)NC1CCN(c2cccc3nc(NC(=O)C4CC4)nn23)CC1
InChIInChI=1S/C20H25N7O4S/c1-12-18(13(2)31-24-12)32(29,30)25-15-8-10-26(11-9-15)17-5-3-4-16-21-20(23-27(16)17)22-19(28)14-6-7-14/h3-5,14-15,25H,6-11H2,1-2H3,(H,22,23,28)
InChIKeyDBPAAPUUEVWWDR-UHFFFAOYSA-N
MW459.53 g/mol
LogP1.63
Rot. Bonds6

About N-[5-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44622201) has the molecular formula C20H25N7O4S and a molecular weight of 459.53 g/mol. Its IUPAC name is N-[5-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44622201
Molecular FormulaC20H25N7O4S
Molecular Weight459.53 g/mol
Exact Mass459.17
IUPAC NameN-[5-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1noc(C)c1S(=O)(=O)NC1CCN(c2cccc3nc(NC(=O)C4CC4)nn23)CC1
InChIInChI=1S/C20H25N7O4S/c1-12-18(13(2)31-24-12)32(29,30)25-15-8-10-26(11-9-15)17-5-3-4-16-21-20(23-27(16)17)22-19(28)14-6-7-14/h3-5,14-15,25H,6-11H2,1-2H3,(H,22,23,28)
InChIKeyDBPAAPUUEVWWDR-UHFFFAOYSA-N
XLogP1.63
TPSA134.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-[4-[(4-cyanophenyl)sulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 70929607
N-[5-[4-(ethoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 44622130
N-[5-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 91090467
N-[5-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 90844562
N-[5-[4-[(2,3-dichlorophenyl)sulfanylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 143929700
N-[5-[4-(3,4-dichlorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;ethane
CID 143929704
N-[5-[4-[2-(dipropylamino)ethyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 70929386
3-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]benzoic acid
CID 70929702
N-[5-(3-oxopiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 70929601
N-[5-(4-benzyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 44622594
N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 108566886
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 70929649

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44622201) is N-[5-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is Cc1noc(C)c1S(=O)(=O)NC1CCN(c2cccc3nc(NC(=O)C4CC4)nn23)CC1.
What is the InChIKey of N-[5-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is DBPAAPUUEVWWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O4S/c1-12-18(13(2)31-24-12)32(29,30)25-15-8-10-26(11-9-15)17-5-3-4-16-21-20(23-27(16)17)22-19(28)14-6-7-14/h3-5,14-15,25H,6-11H2,1-2H3,(H,22,23,28).
What are the key properties of N-[5-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 459.53 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44622201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).