[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone

C19H20N4O2 — CID 166620870

IUPAC[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
SMILESCOc1ccc(CC2CCN(C(=O)c3ccc4ncnn4c3)C2)cc1
InChIInChI=1S/C19H20N4O2/c1-25-17-5-2-14(3-6-17)10-15-8-9-22(11-15)19(24)16-4-7-18-20-13-21-23(18)12-16/h2-7,12-13,15H,8-11H2,1H3
InChIKeyIYKWEHZBPYKIPV-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.44
Rot. Bonds4

About [3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone

[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone (PubChem CID 166620870) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is [3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
PubChem CID166620870
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
SMILESCOc1ccc(CC2CCN(C(=O)c3ccc4ncnn4c3)C2)cc1
InChIInChI=1S/C19H20N4O2/c1-25-17-5-2-14(3-6-17)10-15-8-9-22(11-15)19(24)16-4-7-18-20-13-21-23(18)12-16/h2-7,12-13,15H,8-11H2,1H3
InChIKeyIYKWEHZBPYKIPV-UHFFFAOYSA-N
XLogP2.44
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 166616000
[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 166621082
4-[[(3R)-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95870039
4-[[(3S)-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95870038
[4-(4-methoxyphenoxy)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 166623335
(2-fluoro-6-methylphenyl)-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166619402
2-(2,6-difluorophenyl)-1-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 166622977
4-[[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 166620619
(4-methoxyphenyl)-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95844873
[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 97422474
[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
CID 59170072
[3-(aminomethyl)-3-hydroxyazetidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 167763997

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The IUPAC name of [3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone (CID 166620870) is [3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone.
What is the SMILES notation for [3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The canonical SMILES for [3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone is COc1ccc(CC2CCN(C(=O)c3ccc4ncnn4c3)C2)cc1.
What is the InChIKey of [3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The InChIKey is IYKWEHZBPYKIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-25-17-5-2-14(3-6-17)10-15-8-9-22(11-15)19(24)16-4-7-18-20-13-21-23(18)12-16/h2-7,12-13,15H,8-11H2,1H3.
What are the key properties of [3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone has a molecular weight of 336.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone is sourced from PubChem (CID 166620870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).