(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone

C18H20N6O — CID 7640907

IUPAC(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCCC[C@H]3c3cccnc3)nc2n1
InChIInChI=1S/C18H20N6O/c1-12-10-13(2)24-18(20-12)21-16(22-24)17(25)23-9-4-3-7-15(23)14-6-5-8-19-11-14/h5-6,8,10-11,15H,3-4,7,9H2,1-2H3/t15-/m0/s1
InChIKeyCQIMJOUWANHYGF-HNNXBMFYSA-N
MW336.40 g/mol
LogP2.50
Rot. Bonds2

About (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone

(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone (PubChem CID 7640907) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
PubChem CID7640907
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCCC[C@H]3c3cccnc3)nc2n1
InChIInChI=1S/C18H20N6O/c1-12-10-13(2)24-18(20-12)21-16(22-24)17(25)23-9-4-3-7-15(23)14-6-5-8-19-11-14/h5-6,8,10-11,15H,3-4,7,9H2,1-2H3/t15-/m0/s1
InChIKeyCQIMJOUWANHYGF-HNNXBMFYSA-N
XLogP2.50
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728919
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 32845370
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37333698
3-(3,5-dimethylpyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 163091248
[4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 119061895
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
(6-ethyl-2-methylquinolin-4-yl)-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 95723621
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one
CID 74249642
[7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 50747275
[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 94031142
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 136551647

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone?
The IUPAC name of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone (CID 7640907) is (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone?
The canonical SMILES for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone is Cc1cc(C)n2nc(C(=O)N3CCCC[C@H]3c3cccnc3)nc2n1.
What is the InChIKey of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone?
The InChIKey is CQIMJOUWANHYGF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-10-13(2)24-18(20-12)21-16(22-24)17(25)23-9-4-3-7-15(23)14-6-5-8-19-11-14/h5-6,8,10-11,15H,3-4,7,9H2,1-2H3/t15-/m0/s1.
What are the key properties of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone?
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone has a molecular weight of 336.40 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 7640907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).