1-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one

C17H20ClN5O — CID 71980554

IUPAC1-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one
SMILESO=C(CCCc1ccccn1)N1CCN(c2cc(Cl)ncn2)CC1
InChIInChI=1S/C17H20ClN5O/c18-15-12-16(21-13-20-15)22-8-10-23(11-9-22)17(24)6-3-5-14-4-1-2-7-19-14/h1-2,4,7,12-13H,3,5-6,8-11H2
InChIKeyZSZSRFLVWQTIPR-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.20
Rot. Bonds5

About 1-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one

1-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one (PubChem CID 71980554) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one.

Molecular Properties

Compound Name1-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one
PubChem CID71980554
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name1-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one
SMILESO=C(CCCc1ccccn1)N1CCN(c2cc(Cl)ncn2)CC1
InChIInChI=1S/C17H20ClN5O/c18-15-12-16(21-13-20-15)22-8-10-23(11-9-22)17(24)6-3-5-14-4-1-2-7-19-14/h1-2,4,7,12-13H,3,5-6,8-11H2
InChIKeyZSZSRFLVWQTIPR-UHFFFAOYSA-N
XLogP2.20
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one 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

1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 75384862
1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)-4-pyridin-2-ylbutan-1-one
CID 56780008
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95759735
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-4-pyridin-2-ylbutan-1-one
CID 126788600
4-(2-chlorophenoxy)-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 108755402
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 110389220
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 143237953
[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 71873119
4-(2-chlorophenoxy)-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 108759695

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one?
The IUPAC name of 1-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one (CID 71980554) is 1-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one.
What is the SMILES notation for 1-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one?
The canonical SMILES for 1-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one is O=C(CCCc1ccccn1)N1CCN(c2cc(Cl)ncn2)CC1.
What is the InChIKey of 1-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one?
The InChIKey is ZSZSRFLVWQTIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O/c18-15-12-16(21-13-20-15)22-8-10-23(11-9-22)17(24)6-3-5-14-4-1-2-7-19-14/h1-2,4,7,12-13H,3,5-6,8-11H2.
What are the key properties of 1-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one?
1-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one has a molecular weight of 345.83 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one is sourced from PubChem (CID 71980554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).