(2,6-dimethoxy-3-pyridinyl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone

C17H23N5O3 — CID 87052077

IUPAC(2,6-dimethoxy-3-pyridinyl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC2c2nc(C(C)C)n[nH]2)c(OC)n1
InChIInChI=1S/C17H23N5O3/c1-10(2)14-19-15(21-20-14)12-6-5-9-22(12)17(23)11-7-8-13(24-3)18-16(11)25-4/h7-8,10,12H,5-6,9H2,1-4H3,(H,19,20,21)
InChIKeyQPHLDYWKCLCAMF-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.32
Rot. Bonds5

About (2,6-dimethoxy-3-pyridinyl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone

(2,6-dimethoxy-3-pyridinyl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 87052077) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2,6-dimethoxy-3-pyridinyl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxy-3-pyridinyl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID87052077
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name(2,6-dimethoxy-3-pyridinyl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC2c2nc(C(C)C)n[nH]2)c(OC)n1
InChIInChI=1S/C17H23N5O3/c1-10(2)14-19-15(21-20-14)12-6-5-9-22(12)17(23)11-7-8-13(24-3)18-16(11)25-4/h7-8,10,12H,5-6,9H2,1-4H3,(H,19,20,21)
InChIKeyQPHLDYWKCLCAMF-UHFFFAOYSA-N
XLogP2.32
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 129487501
4-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 129492381
(2-methoxy-3-pyridinyl)-[(2R)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 97063239
[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
CID 53192405
[3-fluoro-4-(hydroxymethyl)phenyl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129487546
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 51116149
(4-methoxy-2-methylphenyl)-[4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methanone
CID 146071003
(3,6-dichloropyridazin-4-yl)-[(2S)-2-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 178145605
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
CID 164699221
3-propan-2-yl-5-[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]-1H-1,2,4-triazole
CID 91653844
3-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-4-(4-methylphenyl)-1H-1,2,4-triazol-5-one
CID 91890712
(2,6-dimethoxy-3-pyridinyl)-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone
CID 3727600

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxy-3-pyridinyl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxy-3-pyridinyl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone (CID 87052077) is (2,6-dimethoxy-3-pyridinyl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxy-3-pyridinyl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxy-3-pyridinyl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone is COc1ccc(C(=O)N2CCCC2c2nc(C(C)C)n[nH]2)c(OC)n1.
What is the InChIKey of (2,6-dimethoxy-3-pyridinyl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is QPHLDYWKCLCAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-10(2)14-19-15(21-20-14)12-6-5-9-22(12)17(23)11-7-8-13(24-3)18-16(11)25-4/h7-8,10,12H,5-6,9H2,1-4H3,(H,19,20,21).
What are the key properties of (2,6-dimethoxy-3-pyridinyl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone?
(2,6-dimethoxy-3-pyridinyl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 345.40 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxy-3-pyridinyl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 87052077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).