1-(4-methylpiperidin-1-yl)-3-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]propan-2-one

C21H25N5O — CID 152879645

IUPAC1-(4-methylpiperidin-1-yl)-3-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]propan-2-one
SMILESCC1CCN(CC(=O)Cc2ncc3ccc(-c4cnn(C)c4)cc3n2)CC1
InChIInChI=1S/C21H25N5O/c1-15-5-7-26(8-6-15)14-19(27)10-21-22-11-17-4-3-16(9-20(17)24-21)18-12-23-25(2)13-18/h3-4,9,11-13,15H,5-8,10,14H2,1-2H3
InChIKeyUBCYAQZCGVHCFD-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.87
Rot. Bonds5

About 1-(4-methylpiperidin-1-yl)-3-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]propan-2-one

1-(4-methylpiperidin-1-yl)-3-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]propan-2-one (PubChem CID 152879645) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-3-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-3-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]propan-2-one
PubChem CID152879645
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name1-(4-methylpiperidin-1-yl)-3-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]propan-2-one
SMILESCC1CCN(CC(=O)Cc2ncc3ccc(-c4cnn(C)c4)cc3n2)CC1
InChIInChI=1S/C21H25N5O/c1-15-5-7-26(8-6-15)14-19(27)10-21-22-11-17-4-3-16(9-20(17)24-21)18-12-23-25(2)13-18/h3-4,9,11-13,15H,5-8,10,14H2,1-2H3
InChIKeyUBCYAQZCGVHCFD-UHFFFAOYSA-N
XLogP2.87
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-methylpiperidin-1-yl)-3-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]propan-2-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-(4,4-difluorocyclohexyl)-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
CID 147773317
1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
CID 147845265
2-(4-hydroxypiperidin-1-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide
CID 138587464
2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 158788980
2-(4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138588375
1-[3-methyl-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
CID 159300631
1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]propan-2-one
CID 161213264
2,2,2-trifluoro-1-[6-[2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetyl]-2-azaspiro[3.3]heptan-2-yl]ethanone
CID 162225541
1-[7-(4,5-dimethyl-1,2,4-triazol-3-yl)quinazolin-2-yl]-3-morpholin-4-ylpropan-2-one
CID 159106347
2-(4-methylpiperidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
CID 91532617
2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide
CID 138589175
2-(4-cyclopropylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide
CID 155241408

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-3-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]propan-2-one?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-3-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]propan-2-one (CID 152879645) is 1-(4-methylpiperidin-1-yl)-3-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]propan-2-one.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-3-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]propan-2-one?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-3-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]propan-2-one is CC1CCN(CC(=O)Cc2ncc3ccc(-c4cnn(C)c4)cc3n2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-3-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]propan-2-one?
The InChIKey is UBCYAQZCGVHCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15-5-7-26(8-6-15)14-19(27)10-21-22-11-17-4-3-16(9-20(17)24-21)18-12-23-25(2)13-18/h3-4,9,11-13,15H,5-8,10,14H2,1-2H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-3-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]propan-2-one?
1-(4-methylpiperidin-1-yl)-3-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]propan-2-one has a molecular weight of 363.47 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-3-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]propan-2-one is sourced from PubChem (CID 152879645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).