[2-(furan-2-yl)quinolin-4-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

C25H21N5O2 — CID 42895594

IUPAC[2-(furan-2-yl)quinolin-4-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccco2)nc2ccccc12)N1CCCC(c2nnc3ccccn23)C1
InChIInChI=1S/C25H21N5O2/c31-25(19-15-21(22-10-6-14-32-22)26-20-9-2-1-8-18(19)20)29-12-5-7-17(16-29)24-28-27-23-11-3-4-13-30(23)24/h1-4,6,8-11,13-15,17H,5,7,12,16H2
InChIKeyUAHNZMLTQQFWEE-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.56
Rot. Bonds3

About [2-(furan-2-yl)quinolin-4-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

[2-(furan-2-yl)quinolin-4-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 42895594) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is [2-(furan-2-yl)quinolin-4-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)quinolin-4-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID42895594
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC Name[2-(furan-2-yl)quinolin-4-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccco2)nc2ccccc12)N1CCCC(c2nnc3ccccn23)C1
InChIInChI=1S/C25H21N5O2/c31-25(19-15-21(22-10-6-14-32-22)26-20-9-2-1-8-18(19)20)29-12-5-7-17(16-29)24-28-27-23-11-3-4-13-30(23)24/h1-4,6,8-11,13-15,17H,5,7,12,16H2
InChIKeyUAHNZMLTQQFWEE-UHFFFAOYSA-N
XLogP4.56
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride
CID 119375996
(2-iodophenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42896883
[2-(furan-2-yl)quinolin-4-yl]-(1,4-thiazepan-4-yl)methanone
CID 86992364
[1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 41308568
morpholin-4-yl-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]quinolin-4-yl]methanone
CID 55447395
(3-methyl-1-benzofuran-2-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 17488890
1-[2-(furan-2-yl)quinoline-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117964
N-[4-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 42940713
[2-(difluoromethoxy)phenyl]-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 51929159
[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 39998594
(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42934165
1,3-dimethyl-6-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 125175514

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)quinolin-4-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-(furan-2-yl)quinolin-4-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (CID 42895594) is [2-(furan-2-yl)quinolin-4-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(furan-2-yl)quinolin-4-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(furan-2-yl)quinolin-4-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCCC(c2nnc3ccccn23)C1.
What is the InChIKey of [2-(furan-2-yl)quinolin-4-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is UAHNZMLTQQFWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c31-25(19-15-21(22-10-6-14-32-22)26-20-9-2-1-8-18(19)20)29-12-5-7-17(16-29)24-28-27-23-11-3-4-13-30(23)24/h1-4,6,8-11,13-15,17H,5,7,12,16H2.
What are the key properties of [2-(furan-2-yl)quinolin-4-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
[2-(furan-2-yl)quinolin-4-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 423.48 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)quinolin-4-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 42895594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).