(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone

C16H18N6O — CID 90654006

IUPAC(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESCc1nc2ccccn2c1C(=O)N1CCC(n2cnnc2)CC1
InChIInChI=1S/C16H18N6O/c1-12-15(22-7-3-2-4-14(22)19-12)16(23)20-8-5-13(6-9-20)21-10-17-18-11-21/h2-4,7,10-11,13H,5-6,8-9H2,1H3
InChIKeyFYSVCVNYRJVTGC-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.71
Rot. Bonds2

About (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone

(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone (PubChem CID 90654006) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
PubChem CID90654006
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESCc1nc2ccccn2c1C(=O)N1CCC(n2cnnc2)CC1
InChIInChI=1S/C16H18N6O/c1-12-15(22-7-3-2-4-14(22)19-12)16(23)20-8-5-13(6-9-20)21-10-17-18-11-21/h2-4,7,10-11,13H,5-6,8-9H2,1H3
InChIKeyFYSVCVNYRJVTGC-UHFFFAOYSA-N
XLogP1.71
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
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CID 90589173
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
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CID 126891685
(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 121154699
(2-methylimidazo[1,2-a]pyridin-3-yl)-(3-phenylazepan-1-yl)methanone
CID 90608540
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
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[7-(1,3-benzodioxol-5-yl)-1,4-thiazepan-4-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 90630733
(4-chloro-1,3-dimethylpyrazol-5-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 119064301
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 122332308
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122345889
[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 122338503

Frequently Asked Questions

What is the IUPAC name of (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone (CID 90654006) is (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone is Cc1nc2ccccn2c1C(=O)N1CCC(n2cnnc2)CC1.
What is the InChIKey of (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is FYSVCVNYRJVTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-12-15(22-7-3-2-4-14(22)19-12)16(23)20-8-5-13(6-9-20)21-10-17-18-11-21/h2-4,7,10-11,13H,5-6,8-9H2,1H3.
What are the key properties of (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 310.36 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 90654006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).