[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone

C16H17N5O2 — CID 23438858

IUPAC[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCCCC2)cn2nc(-c3ccco3)nc12
InChIInChI=1S/C16H17N5O2/c17-12-9-11(16(22)20-6-2-1-3-7-20)10-21-15(12)18-14(19-21)13-5-4-8-23-13/h4-5,8-10H,1-3,6-7,17H2
InChIKeyCYKVQNDMYGJBHU-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.20
Rot. Bonds2

About [8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone

[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone (PubChem CID 23438858) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is [8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone
PubChem CID23438858
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCCCC2)cn2nc(-c3ccco3)nc12
InChIInChI=1S/C16H17N5O2/c17-12-9-11(16(22)20-6-2-1-3-7-20)10-21-15(12)18-14(19-21)13-5-4-8-23-13/h4-5,8-10H,1-3,6-7,17H2
InChIKeyCYKVQNDMYGJBHU-UHFFFAOYSA-N
XLogP2.20
TPSA89.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

Preladenant
CID 10117987
CID 9912318
CID 9912318
Mre 3008-F20
CID 5310960
N-(2-(furan-2-yl)-6-(1H-pyrazol-1-yl)pyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 11956193
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(4-methoxyphenyl)urea
CID 9801343
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-pyridin-4-ylurea;hydrochloride
CID 9887858
5-[[(4-Pyridyl)-amino]carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine
CID 9887859
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-phenylurea
CID 9929470
5-[[(4-Methoxyphenyl)amino]carbonyl]amino-8-ethyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine
CID 9953799
8-(Furan-2-yl)-3-[2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 10203891
1-[4-[3-[5-Amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 10311130
1-[11-Butyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(4-methoxyphenyl)urea
CID 10623248

Frequently Asked Questions

What is the IUPAC name of [8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone (CID 23438858) is [8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone is Nc1cc(C(=O)N2CCCCC2)cn2nc(-c3ccco3)nc12.
What is the InChIKey of [8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is CYKVQNDMYGJBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c17-12-9-11(16(22)20-6-2-1-3-7-20)10-21-15(12)18-14(19-21)13-5-4-8-23-13/h4-5,8-10H,1-3,6-7,17H2.
What are the key properties of [8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone?
[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 311.35 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 23438858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).