[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone

C24H27N5O2 — CID 110148966

IUPAC[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
SMILESCC(C)Oc1ccc(C2CN(C(=O)c3cccc(-c4cncnc4)n3)CCN2C)cc1
InChIInChI=1S/C24H27N5O2/c1-17(2)31-20-9-7-18(8-10-20)23-15-29(12-11-28(23)3)24(30)22-6-4-5-21(27-22)19-13-25-16-26-14-19/h4-10,13-14,16-17,23H,11-12,15H2,1-3H3
InChIKeyOXZIYIUGUGEYOH-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.45
Rot. Bonds5

About [4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone

[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone (PubChem CID 110148966) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is [4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
PubChem CID110148966
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
SMILESCC(C)Oc1ccc(C2CN(C(=O)c3cccc(-c4cncnc4)n3)CCN2C)cc1
InChIInChI=1S/C24H27N5O2/c1-17(2)31-20-9-7-18(8-10-20)23-15-29(12-11-28(23)3)24(30)22-6-4-5-21(27-22)19-13-25-16-26-14-19/h4-10,13-14,16-17,23H,11-12,15H2,1-3H3
InChIKeyOXZIYIUGUGEYOH-UHFFFAOYSA-N
XLogP3.45
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone 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

[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 124988037
[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
CID 110149404
(4-methyl-1,4-diazepan-1-yl)-(6-pyrimidin-5-yl-2-pyridinyl)methanone
CID 110131426
[(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone
CID 124981776
3-methoxy-1-[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]propan-1-one
CID 110109749
[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 124953934
[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 110098385
[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
CID 110120041
[3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
CID 110151388
4-[(3R)-4-methyl-3-phenylpiperazine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
CID 95194210
6-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 110109729
(4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 90652453

Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?
The IUPAC name of [4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone (CID 110148966) is [4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone.
What is the SMILES notation for [4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?
The canonical SMILES for [4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone is CC(C)Oc1ccc(C2CN(C(=O)c3cccc(-c4cncnc4)n3)CCN2C)cc1.
What is the InChIKey of [4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?
The InChIKey is OXZIYIUGUGEYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-17(2)31-20-9-7-18(8-10-20)23-15-29(12-11-28(23)3)24(30)22-6-4-5-21(27-22)19-13-25-16-26-14-19/h4-10,13-14,16-17,23H,11-12,15H2,1-3H3.
What are the key properties of [4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?
[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone has a molecular weight of 417.51 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone is sourced from PubChem (CID 110148966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).