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

C26H24N8O2 — CID 130230435

IUPAC2-(hydroxymethyl)-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
SMILESCN(Cc1cnn(C)c1)c1nc(Cn2c(=O)c3ccccc3n3nc(CO)cc23)nc2ccccc12
InChIInChI=1S/C26H24N8O2/c1-31(13-17-12-27-32(2)14-17)25-19-7-3-5-9-21(19)28-23(29-25)15-33-24-11-18(16-35)30-34(24)22-10-6-4-8-20(22)26(33)36/h3-12,14,35H,13,15-16H2,1-2H3
InChIKeyOELLKERMJQFCEQ-UHFFFAOYSA-N
MW480.53 g/mol
LogP2.50
Rot. Bonds6

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

2-(hydroxymethyl)-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 130230435) has the molecular formula C26H24N8O2 and a molecular weight of 480.53 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
PubChem CID130230435
Molecular FormulaC26H24N8O2
Molecular Weight480.53 g/mol
Exact Mass480.20
IUPAC Name2-(hydroxymethyl)-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
SMILESCN(Cc1cnn(C)c1)c1nc(Cn2c(=O)c3ccccc3n3nc(CO)cc23)nc2ccccc12
InChIInChI=1S/C26H24N8O2/c1-31(13-17-12-27-32(2)14-17)25-19-7-3-5-9-21(19)28-23(29-25)15-33-24-11-18(16-35)30-34(24)22-10-6-4-8-20(22)26(33)36/h3-12,14,35H,13,15-16H2,1-2H3
InChIKeyOELLKERMJQFCEQ-UHFFFAOYSA-N
XLogP2.50
TPSA106.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-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-(hydroxymethyl)-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one (CID 130230435) is 2-(hydroxymethyl)-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-(hydroxymethyl)-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-(hydroxymethyl)-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one is CN(Cc1cnn(C)c1)c1nc(Cn2c(=O)c3ccccc3n3nc(CO)cc23)nc2ccccc12.
What is the InChIKey of 2-(hydroxymethyl)-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is OELLKERMJQFCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O2/c1-31(13-17-12-27-32(2)14-17)25-19-7-3-5-9-21(19)28-23(29-25)15-33-24-11-18(16-35)30-34(24)22-10-6-4-8-20(22)26(33)36/h3-12,14,35H,13,15-16H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one?
2-(hydroxymethyl)-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 480.53 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-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 130230435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).