[4-[(4-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]piperazin-1-yl]-cyclopropylmethanone

C19H20ClFN4O — CID 56665733

IUPAC[4-[(4-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(C(c2cncnc2)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C19H20ClFN4O/c20-15-3-4-16(17(21)9-15)18(14-10-22-12-23-11-14)24-5-7-25(8-6-24)19(26)13-1-2-13/h3-4,9-13,18H,1-2,5-8H2
InChIKeyOXAAIIHJNOSWLO-UHFFFAOYSA-N
MW374.85 g/mol
LogP2.91
Rot. Bonds4

About [4-[(4-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]piperazin-1-yl]-cyclopropylmethanone

[4-[(4-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]piperazin-1-yl]-cyclopropylmethanone (PubChem CID 56665733) has the molecular formula C19H20ClFN4O and a molecular weight of 374.85 g/mol. Its IUPAC name is [4-[(4-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[(4-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]piperazin-1-yl]-cyclopropylmethanone
PubChem CID56665733
Molecular FormulaC19H20ClFN4O
Molecular Weight374.85 g/mol
Exact Mass374.13
IUPAC Name[4-[(4-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(C(c2cncnc2)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C19H20ClFN4O/c20-15-3-4-16(17(21)9-15)18(14-10-22-12-23-11-14)24-5-7-25(8-6-24)19(26)13-1-2-13/h3-4,9-13,18H,1-2,5-8H2
InChIKeyOXAAIIHJNOSWLO-UHFFFAOYSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[(4-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]piperazin-1-yl]-cyclopropylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-Chlorobenzoyl)piperazin-1-yl]pyrimidine
CID 727060
N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442114
[4-(4-chlorophenyl)phenyl]-[(2S)-2-methyl-4-pyrimidin-2-ylpiperazin-1-yl]methanone
CID 15950992
N-[(4-chloro-3-fluorophenyl)methyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 90645263
1-[4-(4-Chloropyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 139532120
US10710967, Example 290
CID 155883506
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452520
N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223370
((3R,4S)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-3-yl)(4-(1-((pyrimidin-5-ylmethylamino)methyl)cyclohexyl)piperazin-1-yl)methanone
CID 44442972
Tert-butyl 4-[(4-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]piperazine-1-carboxylate
CID 56658809
1-[4-[(4-Chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 56658922
N-(4-chlorophenyl)-4-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]piperazine-1-carboxamide
CID 56665582

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[(4-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]piperazin-1-yl]-cyclopropylmethanone (CID 56665733) is [4-[(4-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[(4-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[(4-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]piperazin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCN(C(c2cncnc2)c2ccc(Cl)cc2F)CC1.
What is the InChIKey of [4-[(4-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is OXAAIIHJNOSWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O/c20-15-3-4-16(17(21)9-15)18(14-10-22-12-23-11-14)24-5-7-25(8-6-24)19(26)13-1-2-13/h3-4,9-13,18H,1-2,5-8H2.
What are the key properties of [4-[(4-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]piperazin-1-yl]-cyclopropylmethanone?
[4-[(4-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 374.85 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 56665733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).