3-propan-2-yl-7-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazolin-4-one

C21H23N7O — CID 126897369

IUPAC3-propan-2-yl-7-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazolin-4-one
SMILESCC(C)n1cnc2cc(N3CCN(c4nccn5nccc45)CC3)ccc2c1=O
InChIInChI=1S/C21H23N7O/c1-15(2)27-14-23-18-13-16(3-4-17(18)21(27)29)25-9-11-26(12-10-25)20-19-5-6-24-28(19)8-7-22-20/h3-8,13-15H,9-12H2,1-2H3
InChIKeyMUXHYQFCHMGLPP-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.35
Rot. Bonds3

About 3-propan-2-yl-7-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazolin-4-one

3-propan-2-yl-7-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazolin-4-one (PubChem CID 126897369) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-propan-2-yl-7-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-propan-2-yl-7-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazolin-4-one
PubChem CID126897369
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name3-propan-2-yl-7-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazolin-4-one
SMILESCC(C)n1cnc2cc(N3CCN(c4nccn5nccc45)CC3)ccc2c1=O
InChIInChI=1S/C21H23N7O/c1-15(2)27-14-23-18-13-16(3-4-17(18)21(27)29)25-9-11-26(12-10-25)20-19-5-6-24-28(19)8-7-22-20/h3-8,13-15H,9-12H2,1-2H3
InChIKeyMUXHYQFCHMGLPP-UHFFFAOYSA-N
XLogP2.35
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-propan-2-yl-7-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinazolin-4-one
CID 126897319
3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897323
7-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897342
7-[4-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897419
7-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897624
7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one
CID 126897338
3-propan-2-yl-7-(4-quinoxalin-2-ylpiperazin-1-yl)quinazolin-4-one
CID 126897557
7-[4-(2-hydroxycyclobutyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897590
7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897389
7-[4-[1-(1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897457
7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897524
7-[4-[(6-hydroxy-1,4-dioxepan-6-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897605

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-7-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazolin-4-one?
The IUPAC name of 3-propan-2-yl-7-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazolin-4-one (CID 126897369) is 3-propan-2-yl-7-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazolin-4-one.
What is the SMILES notation for 3-propan-2-yl-7-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazolin-4-one?
The canonical SMILES for 3-propan-2-yl-7-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazolin-4-one is CC(C)n1cnc2cc(N3CCN(c4nccn5nccc45)CC3)ccc2c1=O.
What is the InChIKey of 3-propan-2-yl-7-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazolin-4-one?
The InChIKey is MUXHYQFCHMGLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-15(2)27-14-23-18-13-16(3-4-17(18)21(27)29)25-9-11-26(12-10-25)20-19-5-6-24-28(19)8-7-22-20/h3-8,13-15H,9-12H2,1-2H3.
What are the key properties of 3-propan-2-yl-7-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazolin-4-one?
3-propan-2-yl-7-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazolin-4-one has a molecular weight of 389.46 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-7-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazolin-4-one is sourced from PubChem (CID 126897369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).