[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone

C17H21N7O — CID 167786897

IUPAC[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1cccn2cc(C(=O)N3CCCC(n4cc(CN)nn4)C3)nc12
InChIInChI=1S/C17H21N7O/c1-12-4-2-6-22-11-15(19-16(12)22)17(25)23-7-3-5-14(10-23)24-9-13(8-18)20-21-24/h2,4,6,9,11,14H,3,5,7-8,10,18H2,1H3
InChIKeyOCWUFNOGIFHLSJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.17
Rot. Bonds3

About [3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone

[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 167786897) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is [3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID167786897
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1cccn2cc(C(=O)N3CCCC(n4cc(CN)nn4)C3)nc12
InChIInChI=1S/C17H21N7O/c1-12-4-2-6-22-11-15(19-16(12)22)17(25)23-7-3-5-14(10-23)24-9-13(8-18)20-21-24/h2,4,6,9,11,14H,3,5,7-8,10,18H2,1H3
InChIKeyOCWUFNOGIFHLSJ-UHFFFAOYSA-N
XLogP1.17
TPSA94.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 46999489
[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 74240001
(4-chlorophenyl)-[(3S)-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone
CID 42098520
1-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 95157630
azepan-1-yl-[(2S)-4-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholin-2-yl]methanone
CID 92632850
(3R)-N-cyclopentyl-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 92635367
(8-methylimidazo[1,2-a]pyridin-2-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95222377
(8-methylimidazo[1,2-a]pyridin-2-yl)-piperazin-1-ylmethanone
CID 39162238
[3-[4-(aminomethyl)triazol-1-yl]pyrrolidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 166398435
(8-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95709770
[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 110119924
[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 125007104

Frequently Asked Questions

What is the IUPAC name of [3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of [3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 167786897) is [3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for [3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for [3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone is Cc1cccn2cc(C(=O)N3CCCC(n4cc(CN)nn4)C3)nc12.
What is the InChIKey of [3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is OCWUFNOGIFHLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-12-4-2-6-22-11-15(19-16(12)22)17(25)23-7-3-5-14(10-23)24-9-13(8-18)20-21-24/h2,4,6,9,11,14H,3,5,7-8,10,18H2,1H3.
What are the key properties of [3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone?
[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 339.40 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 167786897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).