(2S)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

C17H21N7O2 — CID 118785053

IUPAC(2S)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1nc2c(NC(=O)N3CCC[C@H]3c3nc(C(C)C)no3)cccn2n1
InChIInChI=1S/C17H21N7O2/c1-10(2)14-20-16(26-22-14)13-7-5-8-23(13)17(25)19-12-6-4-9-24-15(12)18-11(3)21-24/h4,6,9-10,13H,5,7-8H2,1-3H3,(H,19,25)/t13-/m0/s1
InChIKeyYNGPTAKDFROLPK-ZDUSSCGKSA-N
MW355.40 g/mol
LogP2.91
Rot. Bonds3

About (2S)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

(2S)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 118785053) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is (2S)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID118785053
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name(2S)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1nc2c(NC(=O)N3CCC[C@H]3c3nc(C(C)C)no3)cccn2n1
InChIInChI=1S/C17H21N7O2/c1-10(2)14-20-16(26-22-14)13-7-5-8-23(13)17(25)19-12-6-4-9-24-15(12)18-11(3)21-24/h4,6,9-10,13H,5,7-8H2,1-3H3,(H,19,25)/t13-/m0/s1
InChIKeyYNGPTAKDFROLPK-ZDUSSCGKSA-N
XLogP2.91
TPSA101.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide with MolForge

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Related Compounds

ethyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate
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CID 119060735
N-cyclopentyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 70772545
2-(methylamino)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 56862607
(2-methyl-3H-benzimidazol-5-yl)-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70740975
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70787503
[(2S)-1-methylsulfonylpyrrolidin-2-yl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 131930930
(2R)-N-(2-ethylphenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7416330
N-(2,3-dichlorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 4261812
(2S)-N-(2-acetylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 162668964
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 162676057
(2R)-2-(3-methoxyphenoxy)-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 28980455

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (CID 118785053) is (2S)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is Cc1nc2c(NC(=O)N3CCC[C@H]3c3nc(C(C)C)no3)cccn2n1.
What is the InChIKey of (2S)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is YNGPTAKDFROLPK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-10(2)14-20-16(26-22-14)13-7-5-8-23(13)17(25)19-12-6-4-9-24-15(12)18-11(3)21-24/h4,6,9-10,13H,5,7-8H2,1-3H3,(H,19,25)/t13-/m0/s1.
What are the key properties of (2S)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
(2S)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 118785053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).