3-[(1S)-1-[3-methyl-2-(3-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]quinazolin-4-one

C24H21N5O2 — CID 98077327

IUPAC3-[(1S)-1-[3-methyl-2-(3-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]quinazolin-4-one
SMILESCc1cccc(-c2[nH]n3c(=O)cc([C@H](C)n4cnc5ccccc5c4=O)nc3c2C)c1
InChIInChI=1S/C24H21N5O2/c1-14-7-6-8-17(11-14)22-15(2)23-26-20(12-21(30)29(23)27-22)16(3)28-13-25-19-10-5-4-9-18(19)24(28)31/h4-13,16,27H,1-3H3/t16-/m0/s1
InChIKeyKYPAOMNYNYXYTC-INIZCTEOSA-N
MW411.47 g/mol
LogP3.63
Rot. Bonds3

About 3-[(1S)-1-[3-methyl-2-(3-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]quinazolin-4-one

3-[(1S)-1-[3-methyl-2-(3-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]quinazolin-4-one (PubChem CID 98077327) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 3-[(1S)-1-[3-methyl-2-(3-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(1S)-1-[3-methyl-2-(3-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]quinazolin-4-one
PubChem CID98077327
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name3-[(1S)-1-[3-methyl-2-(3-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]quinazolin-4-one
SMILESCc1cccc(-c2[nH]n3c(=O)cc([C@H](C)n4cnc5ccccc5c4=O)nc3c2C)c1
InChIInChI=1S/C24H21N5O2/c1-14-7-6-8-17(11-14)22-15(2)23-26-20(12-21(30)29(23)27-22)16(3)28-13-25-19-10-5-4-9-18(19)24(28)31/h4-13,16,27H,1-3H3/t16-/m0/s1
InChIKeyKYPAOMNYNYXYTC-INIZCTEOSA-N
XLogP3.63
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(1S)-1-[3-methyl-2-(3-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[3-methyl-2-(3-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]quinazolin-4-one?
The IUPAC name of 3-[(1S)-1-[3-methyl-2-(3-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]quinazolin-4-one (CID 98077327) is 3-[(1S)-1-[3-methyl-2-(3-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[(1S)-1-[3-methyl-2-(3-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]quinazolin-4-one?
The canonical SMILES for 3-[(1S)-1-[3-methyl-2-(3-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]quinazolin-4-one is Cc1cccc(-c2[nH]n3c(=O)cc([C@H](C)n4cnc5ccccc5c4=O)nc3c2C)c1.
What is the InChIKey of 3-[(1S)-1-[3-methyl-2-(3-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]quinazolin-4-one?
The InChIKey is KYPAOMNYNYXYTC-INIZCTEOSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-14-7-6-8-17(11-14)22-15(2)23-26-20(12-21(30)29(23)27-22)16(3)28-13-25-19-10-5-4-9-18(19)24(28)31/h4-13,16,27H,1-3H3/t16-/m0/s1.
What are the key properties of 3-[(1S)-1-[3-methyl-2-(3-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]quinazolin-4-one?
3-[(1S)-1-[3-methyl-2-(3-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]quinazolin-4-one has a molecular weight of 411.47 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[3-methyl-2-(3-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]quinazolin-4-one is sourced from PubChem (CID 98077327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).