[3-[(2-methylimidazo[1,2-a]pyrazin-8-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

C21H22N8O — CID 145111894

IUPAC[3-[(2-methylimidazo[1,2-a]pyrazin-8-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCc1cn2ccnc(NC3CCCN(C(=O)c4ccccc4-n4nccn4)C3)c2n1
InChIInChI=1S/C21H22N8O/c1-15-13-27-12-10-22-19(20(27)25-15)26-16-5-4-11-28(14-16)21(30)17-6-2-3-7-18(17)29-23-8-9-24-29/h2-3,6-10,12-13,16H,4-5,11,14H2,1H3,(H,22,26)
InChIKeyKAEARPITAGYGDK-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.34
Rot. Bonds4

About [3-[(2-methylimidazo[1,2-a]pyrazin-8-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

[3-[(2-methylimidazo[1,2-a]pyrazin-8-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 145111894) has the molecular formula C21H22N8O and a molecular weight of 402.46 g/mol. Its IUPAC name is [3-[(2-methylimidazo[1,2-a]pyrazin-8-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-[(2-methylimidazo[1,2-a]pyrazin-8-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID145111894
Molecular FormulaC21H22N8O
Molecular Weight402.46 g/mol
Exact Mass402.19
IUPAC Name[3-[(2-methylimidazo[1,2-a]pyrazin-8-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCc1cn2ccnc(NC3CCCN(C(=O)c4ccccc4-n4nccn4)C3)c2n1
InChIInChI=1S/C21H22N8O/c1-15-13-27-12-10-22-19(20(27)25-15)26-16-5-4-11-28(14-16)21(30)17-6-2-3-7-18(17)29-23-8-9-24-29/h2-3,6-10,12-13,16H,4-5,11,14H2,1H3,(H,22,26)
InChIKeyKAEARPITAGYGDK-UHFFFAOYSA-N
XLogP2.34
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 4-methyl-2-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate
CID 144872023
[(3R)-3-(quinoxalin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 134503247
S-[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl] ethanethioate
CID 145108146
1-[2-(triazol-2-yl)benzoyl]piperidine-3-carbothioamide
CID 144786935
[2-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487525
ethyl N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-3-yl]carbamate
CID 87018917
[3-[(5-chloro-2-pyridinyl)amino]piperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 134503179
(3-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 145108171
[4-methyl-2-(triazol-2-yl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 134503161
[3-(4-tert-butyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 139565445
[(3aR,7aR)-1-(3,6-dimethylpyrazin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 140857031
methyl 4-(azetidin-1-yl)-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 144651679

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylimidazo[1,2-a]pyrazin-8-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [3-[(2-methylimidazo[1,2-a]pyrazin-8-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 145111894) is [3-[(2-methylimidazo[1,2-a]pyrazin-8-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [3-[(2-methylimidazo[1,2-a]pyrazin-8-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [3-[(2-methylimidazo[1,2-a]pyrazin-8-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is Cc1cn2ccnc(NC3CCCN(C(=O)c4ccccc4-n4nccn4)C3)c2n1.
What is the InChIKey of [3-[(2-methylimidazo[1,2-a]pyrazin-8-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is KAEARPITAGYGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O/c1-15-13-27-12-10-22-19(20(27)25-15)26-16-5-4-11-28(14-16)21(30)17-6-2-3-7-18(17)29-23-8-9-24-29/h2-3,6-10,12-13,16H,4-5,11,14H2,1H3,(H,22,26).
What are the key properties of [3-[(2-methylimidazo[1,2-a]pyrazin-8-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
[3-[(2-methylimidazo[1,2-a]pyrazin-8-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 402.46 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylimidazo[1,2-a]pyrazin-8-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 145111894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).