[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone

C21H22N4O3 — CID 55532223

IUPAC[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)c2ccc(-n3cccn3)nc2)c1
InChIInChI=1S/C21H22N4O3/c1-27-16-7-8-19(28-2)17(13-16)18-5-3-11-24(18)21(26)15-6-9-20(22-14-15)25-12-4-10-23-25/h4,6-10,12-14,18H,3,5,11H2,1-2H3
InChIKeyGYDNWKBKGWFFPH-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.26
Rot. Bonds5

About [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone

[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone (PubChem CID 55532223) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
PubChem CID55532223
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)c2ccc(-n3cccn3)nc2)c1
InChIInChI=1S/C21H22N4O3/c1-27-16-7-8-19(28-2)17(13-16)18-5-3-11-24(18)21(26)15-6-9-20(22-14-15)25-12-4-10-23-25/h4,6-10,12-14,18H,3,5,11H2,1-2H3
InChIKeyGYDNWKBKGWFFPH-UHFFFAOYSA-N
XLogP3.26
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 27034302
3H-benzimidazol-5-yl-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 29364445
(3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46636697
[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-[(S)-methylsulfinyl]phenyl]methanone
CID 41328131
4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide
CID 56545543
[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-[(R)-methylsulfinyl]phenyl]methanone
CID 41328133
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(3-fluorophenyl)methanone
CID 43033960
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 46525291
[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone
CID 94149806
[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone
CID 94149807
[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 40953818
[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 29365042

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The IUPAC name of [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone (CID 55532223) is [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone is COc1ccc(OC)c(C2CCCN2C(=O)c2ccc(-n3cccn3)nc2)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The InChIKey is GYDNWKBKGWFFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-16-7-8-19(28-2)17(13-16)18-5-3-11-24(18)21(26)15-6-9-20(22-14-15)25-12-4-10-23-25/h4,6-10,12-14,18H,3,5,11H2,1-2H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone has a molecular weight of 378.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 55532223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).