7-chloro-3-[2-[4-(4-fluorobenzoyl)-4-methylpiperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one

C24H25ClFN3O2 — CID 151465918

IUPAC7-chloro-3-[2-[4-(4-fluorobenzoyl)-4-methylpiperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccc(Cl)cn2c(=O)c1CCN1CCC(C)(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H25ClFN3O2/c1-16-20(23(31)29-15-18(25)5-8-21(29)27-16)9-12-28-13-10-24(2,11-14-28)22(30)17-3-6-19(26)7-4-17/h3-8,15H,9-14H2,1-2H3
InChIKeyPJLGFPGHPSCVRR-UHFFFAOYSA-N
MW441.93 g/mol
LogP4.32
Rot. Bonds5

About 7-chloro-3-[2-[4-(4-fluorobenzoyl)-4-methylpiperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one

7-chloro-3-[2-[4-(4-fluorobenzoyl)-4-methylpiperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 151465918) has the molecular formula C24H25ClFN3O2 and a molecular weight of 441.93 g/mol. Its IUPAC name is 7-chloro-3-[2-[4-(4-fluorobenzoyl)-4-methylpiperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-3-[2-[4-(4-fluorobenzoyl)-4-methylpiperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID151465918
Molecular FormulaC24H25ClFN3O2
Molecular Weight441.93 g/mol
Exact Mass441.16
IUPAC Name7-chloro-3-[2-[4-(4-fluorobenzoyl)-4-methylpiperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccc(Cl)cn2c(=O)c1CCN1CCC(C)(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H25ClFN3O2/c1-16-20(23(31)29-15-18(25)5-8-21(29)27-16)9-12-28-13-10-24(2,11-14-28)22(30)17-3-6-19(26)7-4-17/h3-8,15H,9-14H2,1-2H3
InChIKeyPJLGFPGHPSCVRR-UHFFFAOYSA-N
XLogP4.32
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.93
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-[4-(4-fluorobenzoyl)-4-methylpiperidin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 161120481
4-(4-fluorobenzoyl)-4-methylpiperidine-1-carboxylic acid
CID 69121595
6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82056530
8-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 50948858
N-[1-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpiperidin-4-yl]acetamide
CID 46981118
(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone
CID 46969368
4-[4-(4-chlorophenyl)-4-trimethylsilyloxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 626648
(4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 21275348
ethyl 3-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate
CID 6622036
6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one
CID 58060679
3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12527404
(4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569947

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[2-[4-(4-fluorobenzoyl)-4-methylpiperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-3-[2-[4-(4-fluorobenzoyl)-4-methylpiperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one (CID 151465918) is 7-chloro-3-[2-[4-(4-fluorobenzoyl)-4-methylpiperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-3-[2-[4-(4-fluorobenzoyl)-4-methylpiperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-3-[2-[4-(4-fluorobenzoyl)-4-methylpiperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one is Cc1nc2ccc(Cl)cn2c(=O)c1CCN1CCC(C)(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 7-chloro-3-[2-[4-(4-fluorobenzoyl)-4-methylpiperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PJLGFPGHPSCVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN3O2/c1-16-20(23(31)29-15-18(25)5-8-21(29)27-16)9-12-28-13-10-24(2,11-14-28)22(30)17-3-6-19(26)7-4-17/h3-8,15H,9-14H2,1-2H3.
What are the key properties of 7-chloro-3-[2-[4-(4-fluorobenzoyl)-4-methylpiperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
7-chloro-3-[2-[4-(4-fluorobenzoyl)-4-methylpiperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 441.93 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[2-[4-(4-fluorobenzoyl)-4-methylpiperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 151465918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).