[3-(furan-2-yl)pyrrolidin-1-yl]-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]methanone

C20H17N5O2 — CID 110618196

IUPAC[3-(furan-2-yl)pyrrolidin-1-yl]-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2nnc3ncccn23)cc1)N1CCC(c2ccco2)C1
InChIInChI=1S/C20H17N5O2/c26-19(24-11-8-16(13-24)17-3-1-12-27-17)15-6-4-14(5-7-15)18-22-23-20-21-9-2-10-25(18)20/h1-7,9-10,12,16H,8,11,13H2
InChIKeyYWZJKZPOSQNSJB-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.01
Rot. Bonds3

About [3-(furan-2-yl)pyrrolidin-1-yl]-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]methanone

[3-(furan-2-yl)pyrrolidin-1-yl]-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]methanone (PubChem CID 110618196) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is [3-(furan-2-yl)pyrrolidin-1-yl]-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-(furan-2-yl)pyrrolidin-1-yl]-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]methanone
PubChem CID110618196
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name[3-(furan-2-yl)pyrrolidin-1-yl]-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2nnc3ncccn23)cc1)N1CCC(c2ccco2)C1
InChIInChI=1S/C20H17N5O2/c26-19(24-11-8-16(13-24)17-3-1-12-27-17)15-6-4-14(5-7-15)18-22-23-20-21-9-2-10-25(18)20/h1-7,9-10,12,16H,8,11,13H2
InChIKeyYWZJKZPOSQNSJB-UHFFFAOYSA-N
XLogP3.01
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-pyrimidin-2-ylpiperazin-1-yl)-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]methanone
CID 110300392
[3-(furan-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110667356
3-(furan-2-yl)pyrrolidine-1-carboxamide
CID 131041480
(3-bromo-5-fluorophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 110612224
(3-bromo-4-methoxyphenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 110424514
[(3S)-3-(furan-2-yl)pyrrolidin-1-yl]-(3-hydroxy-4-nitrophenyl)methanone
CID 97212484
[3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110603786
[3-(furan-2-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110423788
3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 110667360
(2-chloro-5-nitrophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 75370875
3-(furan-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyrrolidine-1-carboxamide
CID 154851372
N-(2-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300467

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)pyrrolidin-1-yl]-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]methanone?
The IUPAC name of [3-(furan-2-yl)pyrrolidin-1-yl]-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]methanone (CID 110618196) is [3-(furan-2-yl)pyrrolidin-1-yl]-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]methanone.
What is the SMILES notation for [3-(furan-2-yl)pyrrolidin-1-yl]-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]methanone?
The canonical SMILES for [3-(furan-2-yl)pyrrolidin-1-yl]-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]methanone is O=C(c1ccc(-c2nnc3ncccn23)cc1)N1CCC(c2ccco2)C1.
What is the InChIKey of [3-(furan-2-yl)pyrrolidin-1-yl]-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]methanone?
The InChIKey is YWZJKZPOSQNSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c26-19(24-11-8-16(13-24)17-3-1-12-27-17)15-6-4-14(5-7-15)18-22-23-20-21-9-2-10-25(18)20/h1-7,9-10,12,16H,8,11,13H2.
What are the key properties of [3-(furan-2-yl)pyrrolidin-1-yl]-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]methanone?
[3-(furan-2-yl)pyrrolidin-1-yl]-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]methanone has a molecular weight of 359.39 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-yl)pyrrolidin-1-yl]-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]methanone is sourced from PubChem (CID 110618196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).