(4-methoxyphenyl)-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

C18H19N5O2 — CID 162660696

IUPAC(4-methoxyphenyl)-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC[C@H](c3ccnc4ncnn34)C2)cc1
InChIInChI=1S/C18H19N5O2/c1-25-15-6-4-13(5-7-15)17(24)22-10-2-3-14(11-22)16-8-9-19-18-20-12-21-23(16)18/h4-9,12,14H,2-3,10-11H2,1H3/t14-/m0/s1
InChIKeyJCZAUBCLCFIOLN-AWEZNQCLSA-N
MW337.38 g/mol
LogP2.15
Rot. Bonds3

About (4-methoxyphenyl)-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

(4-methoxyphenyl)-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 162660696) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is (4-methoxyphenyl)-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID162660696
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name(4-methoxyphenyl)-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC[C@H](c3ccnc4ncnn34)C2)cc1
InChIInChI=1S/C18H19N5O2/c1-25-15-6-4-13(5-7-15)17(24)22-10-2-3-14(11-22)16-8-9-19-18-20-12-21-23(16)18/h4-9,12,14H,2-3,10-11H2,1H3/t14-/m0/s1
InChIKeyJCZAUBCLCFIOLN-AWEZNQCLSA-N
XLogP2.15
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-Diethyl-2-(2-(4-methoxyphenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)acetamide
CID 11595759
2-(5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl)-N,N-diethylacetamide
CID 71625545
CID 139482772
CID 139482772
7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323
N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 44454940
4-methoxy-N-(2-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide
CID 46237929
2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide
CID 127048799
1-[2-(4-Methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 754768
(4-Butoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2094435
N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2512205
(4-Methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 2811138
{1-[(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]piperidin-3-yl}(4-methoxy-3,5-dimethylphenyl)methanone
CID 16187512

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 162660696) is (4-methoxyphenyl)-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC[C@H](c3ccnc4ncnn34)C2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is JCZAUBCLCFIOLN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-25-15-6-4-13(5-7-15)17(24)22-10-2-3-14(11-22)16-8-9-19-18-20-12-21-23(16)18/h4-9,12,14H,2-3,10-11H2,1H3/t14-/m0/s1.
What are the key properties of (4-methoxyphenyl)-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
(4-methoxyphenyl)-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 337.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 162660696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).