(3S)-3-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid

C16H16N6O4 — CID 118980831

IUPAC(3S)-3-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
SMILESCc1nc(-c2ccc3nc(NC(=O)[C@H]4CCN(C(=O)O)C4)cn3c2)no1
InChIInChI=1S/C16H16N6O4/c1-9-17-14(20-26-9)10-2-3-13-18-12(8-22(13)6-10)19-15(23)11-4-5-21(7-11)16(24)25/h2-3,6,8,11H,4-5,7H2,1H3,(H,19,23)(H,24,25)/t11-/m0/s1
InChIKeyFWXAQEQHVIOBGO-NSHDSACASA-N
MW356.34 g/mol
LogP1.63
Rot. Bonds3

About (3S)-3-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid

(3S)-3-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid (PubChem CID 118980831) has the molecular formula C16H16N6O4 and a molecular weight of 356.34 g/mol. Its IUPAC name is (3S)-3-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
PubChem CID118980831
Molecular FormulaC16H16N6O4
Molecular Weight356.34 g/mol
Exact Mass356.12
IUPAC Name(3S)-3-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
SMILESCc1nc(-c2ccc3nc(NC(=O)[C@H]4CCN(C(=O)O)C4)cn3c2)no1
InChIInChI=1S/C16H16N6O4/c1-9-17-14(20-26-9)10-2-3-13-18-12(8-22(13)6-10)19-15(23)11-4-5-21(7-11)16(24)25/h2-3,6,8,11H,4-5,7H2,1H3,(H,19,23)(H,24,25)/t11-/m0/s1
InChIKeyFWXAQEQHVIOBGO-NSHDSACASA-N
XLogP1.63
TPSA125.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 118980798
tert-butyl (3S)-3-[[6-[(Z)-N'-hydroxycarbamimidoyl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 142772821
N-(6-methyl-1,3-benzothiazol-2-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767396
tert-butyl (3S)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 141485083
5-methyl-3-(2-methylimidazo[1,2-a]pyridin-6-yl)-1,2,4-oxadiazole
CID 142598092
(3S)-1-cyano-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide
CID 118981293
N-[6-[difluoro-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 59233261
[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 50806800
N-[6-(3,4-difluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 155081984
N-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767369
N-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)cyclopropanecarboxamide
CID 58158532
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 50828691

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3S)-3-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid (CID 118980831) is (3S)-3-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid is Cc1nc(-c2ccc3nc(NC(=O)[C@H]4CCN(C(=O)O)C4)cn3c2)no1.
What is the InChIKey of (3S)-3-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is FWXAQEQHVIOBGO-NSHDSACASA-N. The full InChI is InChI=1S/C16H16N6O4/c1-9-17-14(20-26-9)10-2-3-13-18-12(8-22(13)6-10)19-15(23)11-4-5-21(7-11)16(24)25/h2-3,6,8,11H,4-5,7H2,1H3,(H,19,23)(H,24,25)/t11-/m0/s1.
What are the key properties of (3S)-3-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
(3S)-3-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid has a molecular weight of 356.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 118980831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).