1-[(2R)-4-methyl-1-methylsulfonylpentan-2-yl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

C15H23N5O3S — CID 167761793

IUPAC1-[(2R)-4-methyl-1-methylsulfonylpentan-2-yl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESCc1nc2ccc(NC(=O)N[C@H](CC(C)C)CS(C)(=O)=O)cn2n1
InChIInChI=1S/C15H23N5O3S/c1-10(2)7-13(9-24(4,22)23)18-15(21)17-12-5-6-14-16-11(3)19-20(14)8-12/h5-6,8,10,13H,7,9H2,1-4H3,(H2,17,18,21)/t13-/m1/s1
InChIKeyJAPRVNZEHSFVHT-CYBMUJFWSA-N
MW353.45 g/mol
LogP1.62
Rot. Bonds6

About 1-[(2R)-4-methyl-1-methylsulfonylpentan-2-yl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

1-[(2R)-4-methyl-1-methylsulfonylpentan-2-yl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (PubChem CID 167761793) has the molecular formula C15H23N5O3S and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-[(2R)-4-methyl-1-methylsulfonylpentan-2-yl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[(2R)-4-methyl-1-methylsulfonylpentan-2-yl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
PubChem CID167761793
Molecular FormulaC15H23N5O3S
Molecular Weight353.45 g/mol
Exact Mass353.15
IUPAC Name1-[(2R)-4-methyl-1-methylsulfonylpentan-2-yl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESCc1nc2ccc(NC(=O)N[C@H](CC(C)C)CS(C)(=O)=O)cn2n1
InChIInChI=1S/C15H23N5O3S/c1-10(2)7-13(9-24(4,22)23)18-15(21)17-12-5-6-14-16-11(3)19-20(14)8-12/h5-6,8,10,13H,7,9H2,1-4H3,(H2,17,18,21)/t13-/m1/s1
InChIKeyJAPRVNZEHSFVHT-CYBMUJFWSA-N
XLogP1.62
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butanoic acid
CID 83836917
2-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-1-one
CID 112713257
3-(2,3-dihydroindol-1-yl)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butanamide
CID 154842366
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea
CID 95629506
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 95629512
(2R)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-oxoazepane-2-carboxamide
CID 125145251
1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 111113023
1-(5-methylhexan-3-yl)-3-phenylurea
CID 19835712
1-(1-hydroxy-4-methylpentan-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 111475816
2-(4-chlorophenyl)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)azetidine-1-carboxamide
CID 167811800
1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 71860738
1-(4-methoxyphenyl)-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
CID 70988210

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-methyl-1-methylsulfonylpentan-2-yl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The IUPAC name of 1-[(2R)-4-methyl-1-methylsulfonylpentan-2-yl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (CID 167761793) is 1-[(2R)-4-methyl-1-methylsulfonylpentan-2-yl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.
What is the SMILES notation for 1-[(2R)-4-methyl-1-methylsulfonylpentan-2-yl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The canonical SMILES for 1-[(2R)-4-methyl-1-methylsulfonylpentan-2-yl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is Cc1nc2ccc(NC(=O)N[C@H](CC(C)C)CS(C)(=O)=O)cn2n1.
What is the InChIKey of 1-[(2R)-4-methyl-1-methylsulfonylpentan-2-yl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The InChIKey is JAPRVNZEHSFVHT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N5O3S/c1-10(2)7-13(9-24(4,22)23)18-15(21)17-12-5-6-14-16-11(3)19-20(14)8-12/h5-6,8,10,13H,7,9H2,1-4H3,(H2,17,18,21)/t13-/m1/s1.
What are the key properties of 1-[(2R)-4-methyl-1-methylsulfonylpentan-2-yl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
1-[(2R)-4-methyl-1-methylsulfonylpentan-2-yl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea has a molecular weight of 353.45 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-methyl-1-methylsulfonylpentan-2-yl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is sourced from PubChem (CID 167761793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).