2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C21H26N6O — CID 158788980

IUPAC2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)Cc2ncc3ccc(-c4cnn(C)c4)cc3n2)CC1
InChIInChI=1S/C21H26N6O/c1-15(2)26-6-8-27(9-7-26)21(28)11-20-22-12-17-5-4-16(10-19(17)24-20)18-13-23-25(3)14-18/h4-5,10,12-15H,6-9,11H2,1-3H3
InChIKeyISAOOXUEWOKOOF-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.13
Rot. Bonds4

About 2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 158788980) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID158788980
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)Cc2ncc3ccc(-c4cnn(C)c4)cc3n2)CC1
InChIInChI=1S/C21H26N6O/c1-15(2)26-6-8-27(9-7-26)21(28)11-20-22-12-17-5-4-16(10-19(17)24-20)18-13-23-25(3)14-18/h4-5,10,12-15H,6-9,11H2,1-3H3
InChIKeyISAOOXUEWOKOOF-UHFFFAOYSA-N
XLogP2.13
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone 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-(4-methylpiperidin-1-yl)-3-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]propan-2-one
CID 152879645
1-[3-methyl-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
CID 159300631
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
(2S)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-pyrrolidin-1-ylpropanamide
CID 138591844
2-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-1-morpholin-4-ylethanone
CID 159853462
2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone
CID 159741328
2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 162233590
1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
CID 147845265
2-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-1-morpholin-4-ylethanone
CID 159565565
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 147499444
1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone
CID 146993840

Frequently Asked Questions

What is the IUPAC name of 2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 158788980) is 2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)N1CCN(C(=O)Cc2ncc3ccc(-c4cnn(C)c4)cc3n2)CC1.
What is the InChIKey of 2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is ISAOOXUEWOKOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-15(2)26-6-8-27(9-7-26)21(28)11-20-22-12-17-5-4-16(10-19(17)24-20)18-13-23-25(3)14-18/h4-5,10,12-15H,6-9,11H2,1-3H3.
What are the key properties of 2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 378.48 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 158788980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).