[4-(2-ethylphenyl)piperazin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone

C22H23N5O — CID 74249829

IUPAC[4-(2-ethylphenyl)piperazin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
SMILESCCc1ccccc1N1CCN(C(=O)c2cnc(-c3cccnc3)nc2)CC1
InChIInChI=1S/C22H23N5O/c1-2-17-6-3-4-8-20(17)26-10-12-27(13-11-26)22(28)19-15-24-21(25-16-19)18-7-5-9-23-14-18/h3-9,14-16H,2,10-13H2,1H3
InChIKeyIRUYORNTWPGJJN-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.06
Rot. Bonds4

About [4-(2-ethylphenyl)piperazin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone

[4-(2-ethylphenyl)piperazin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone (PubChem CID 74249829) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is [4-(2-ethylphenyl)piperazin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-ethylphenyl)piperazin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
PubChem CID74249829
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name[4-(2-ethylphenyl)piperazin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
SMILESCCc1ccccc1N1CCN(C(=O)c2cnc(-c3cccnc3)nc2)CC1
InChIInChI=1S/C22H23N5O/c1-2-17-6-3-4-8-20(17)26-10-12-27(13-11-26)22(28)19-15-24-21(25-16-19)18-7-5-9-23-14-18/h3-9,14-16H,2,10-13H2,1H3
InChIKeyIRUYORNTWPGJJN-UHFFFAOYSA-N
XLogP3.06
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-ethylphenyl)piperazin-1-yl]-[3-(1H-imidazol-5-yl)phenyl]methanone
CID 119065881
N-[1-(2-pyridin-3-ylpyrimidine-5-carbonyl)piperidin-4-yl]methanesulfonamide
CID 72890935
(3,4-dimethylphenyl)-[4-(2-ethylphenyl)piperazin-1-yl]methanone
CID 113075800
[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 56903217
[4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 110756069
[4-(2-methylphenyl)-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 70731187
[4-(2-ethoxyphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 46458534
[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 70752019
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 156605241
[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 133310277
(6-chloro-3-pyridinyl)-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone
CID 134799669
4-(2-ethylphenyl)piperazine-1-carboxamide
CID 70281213

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylphenyl)piperazin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
The IUPAC name of [4-(2-ethylphenyl)piperazin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone (CID 74249829) is [4-(2-ethylphenyl)piperazin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [4-(2-ethylphenyl)piperazin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [4-(2-ethylphenyl)piperazin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone is CCc1ccccc1N1CCN(C(=O)c2cnc(-c3cccnc3)nc2)CC1.
What is the InChIKey of [4-(2-ethylphenyl)piperazin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
The InChIKey is IRUYORNTWPGJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-2-17-6-3-4-8-20(17)26-10-12-27(13-11-26)22(28)19-15-24-21(25-16-19)18-7-5-9-23-14-18/h3-9,14-16H,2,10-13H2,1H3.
What are the key properties of [4-(2-ethylphenyl)piperazin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
[4-(2-ethylphenyl)piperazin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone has a molecular weight of 373.46 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylphenyl)piperazin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 74249829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).