[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone

C19H19N5O2 — CID 94571761

IUPAC[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
SMILESCOc1ccc([C@H]2CCCN2C(=O)c2ccnc(-n3cncn3)c2)cc1
InChIInChI=1S/C19H19N5O2/c1-26-16-6-4-14(5-7-16)17-3-2-10-23(17)19(25)15-8-9-21-18(11-15)24-13-20-12-22-24/h4-9,11-13,17H,2-3,10H2,1H3/t17-/m1/s1
InChIKeyZQTQWWDKKZHEIK-QGZVFWFLSA-N
MW349.39 g/mol
LogP2.65
Rot. Bonds4

About [(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone

[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone (PubChem CID 94571761) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is [(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
PubChem CID94571761
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
SMILESCOc1ccc([C@H]2CCCN2C(=O)c2ccnc(-n3cncn3)c2)cc1
InChIInChI=1S/C19H19N5O2/c1-26-16-6-4-14(5-7-16)17-3-2-10-23(17)19(25)15-8-9-21-18(11-15)24-13-20-12-22-24/h4-9,11-13,17H,2-3,10H2,1H3/t17-/m1/s1
InChIKeyZQTQWWDKKZHEIK-QGZVFWFLSA-N
XLogP2.65
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone with MolForge

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Related Compounds

[2-(4-methoxyphenyl)azepan-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 51120898
(2-pyridin-4-ylpyrrolidin-1-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 51091752
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 46635205
(2-pyridin-4-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 24631475
[2-(2-methoxyphenyl)piperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 120733399
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 51075790
[(2R)-2,4-dimethylpiperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 97094220
(4-butoxy-3-methoxyphenyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 112766788
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
[2-(4-fluorophenyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 70732659
[(2R)-2-(4-methoxyphenyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 97120424

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone?
The IUPAC name of [(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone (CID 94571761) is [(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone.
What is the SMILES notation for [(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone?
The canonical SMILES for [(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone is COc1ccc([C@H]2CCCN2C(=O)c2ccnc(-n3cncn3)c2)cc1.
What is the InChIKey of [(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone?
The InChIKey is ZQTQWWDKKZHEIK-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-26-16-6-4-14(5-7-16)17-3-2-10-23(17)19(25)15-8-9-21-18(11-15)24-13-20-12-22-24/h4-9,11-13,17H,2-3,10H2,1H3/t17-/m1/s1.
What are the key properties of [(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone?
[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone has a molecular weight of 349.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 94571761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).