2-methyl-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one

C26H24N8O — CID 122551888

IUPAC2-methyl-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
SMILESCc1cc2n(Cc3nc(N(C)Cc4cnn(C)c4)c4ccccc4n3)c(=O)c3ccccc3n2n1
InChIInChI=1S/C26H24N8O/c1-17-12-24-33(26(35)20-9-5-7-11-22(20)34(24)30-17)16-23-28-21-10-6-4-8-19(21)25(29-23)31(2)14-18-13-27-32(3)15-18/h4-13,15H,14,16H2,1-3H3
InChIKeyPWVJNPXUJZTTEJ-UHFFFAOYSA-N
MW464.53 g/mol
LogP3.32
Rot. Bonds5

About 2-methyl-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one

2-methyl-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 122551888) has the molecular formula C26H24N8O and a molecular weight of 464.53 g/mol. Its IUPAC name is 2-methyl-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-methyl-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
PubChem CID122551888
Molecular FormulaC26H24N8O
Molecular Weight464.53 g/mol
Exact Mass464.21
IUPAC Name2-methyl-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
SMILESCc1cc2n(Cc3nc(N(C)Cc4cnn(C)c4)c4ccccc4n3)c(=O)c3ccccc3n2n1
InChIInChI=1S/C26H24N8O/c1-17-12-24-33(26(35)20-9-5-7-11-22(20)34(24)30-17)16-23-28-21-10-6-4-8-19(21)25(29-23)31(2)14-18-13-27-32(3)15-18/h4-13,15H,14,16H2,1-3H3
InChIKeyPWVJNPXUJZTTEJ-UHFFFAOYSA-N
XLogP3.32
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-methyl-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-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 2-methyl-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-methyl-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one (CID 122551888) is 2-methyl-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-methyl-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-methyl-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one is Cc1cc2n(Cc3nc(N(C)Cc4cnn(C)c4)c4ccccc4n3)c(=O)c3ccccc3n2n1.
What is the InChIKey of 2-methyl-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is PWVJNPXUJZTTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O/c1-17-12-24-33(26(35)20-9-5-7-11-22(20)34(24)30-17)16-23-28-21-10-6-4-8-19(21)25(29-23)31(2)14-18-13-27-32(3)15-18/h4-13,15H,14,16H2,1-3H3.
What are the key properties of 2-methyl-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one?
2-methyl-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 464.53 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 122551888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).