[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone

C20H17ClN4O — CID 72926522

IUPAC[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2ccncc2)nc1)N1CCC(c2ccccc2Cl)C1
InChIInChI=1S/C20H17ClN4O/c21-18-4-2-1-3-17(18)15-7-10-25(13-15)20(26)16-11-23-19(24-12-16)14-5-8-22-9-6-14/h1-6,8-9,11-12,15H,7,10,13H2
InChIKeyWZYWBFOGQIEJCP-UHFFFAOYSA-N
MW364.84 g/mol
LogP3.82
Rot. Bonds3

About [3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone

[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone (PubChem CID 72926522) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is [3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
PubChem CID72926522
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2ccncc2)nc1)N1CCC(c2ccccc2Cl)C1
InChIInChI=1S/C20H17ClN4O/c21-18-4-2-1-3-17(18)15-7-10-25(13-15)20(26)16-11-23-19(24-12-16)14-5-8-22-9-6-14/h1-6,8-9,11-12,15H,7,10,13H2
InChIKeyWZYWBFOGQIEJCP-UHFFFAOYSA-N
XLogP3.82
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-3-yl-[(3R)-1-(2-pyridin-4-ylpyrimidine-5-carbonyl)piperidin-3-yl]methanone
CID 97193617
[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 97139854
5-[(3R)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 126435275
[(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
CID 125474114
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72932681
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074
2-[3-[3-(2-chlorophenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 45207852
[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95292486
(1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 118793699
[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 95553259
[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 95717763
[3-(2-chlorophenyl)pyrrolidin-1-yl]-[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]methanone
CID 24791219

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
The IUPAC name of [3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone (CID 72926522) is [3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone is O=C(c1cnc(-c2ccncc2)nc1)N1CCC(c2ccccc2Cl)C1.
What is the InChIKey of [3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
The InChIKey is WZYWBFOGQIEJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c21-18-4-2-1-3-17(18)15-7-10-25(13-15)20(26)16-11-23-19(24-12-16)14-5-8-22-9-6-14/h1-6,8-9,11-12,15H,7,10,13H2.
What are the key properties of [3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone has a molecular weight of 364.84 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 72926522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).