6-[(3-methylphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C19H17N5O — CID 137274759

IUPAC6-[(3-methylphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cccc(CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1
InChIInChI=1S/C19H17N5O/c1-13-6-5-7-14(10-13)11-20-19-22-17-16(18(25)23-19)12-21-24(17)15-8-3-2-4-9-15/h2-10,12H,11H2,1H3,(H2,20,22,23,25)
InChIKeyGZFFFNQINQFACE-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.03
Rot. Bonds4

About 6-[(3-methylphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[(3-methylphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137274759) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 6-[(3-methylphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(3-methylphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137274759
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name6-[(3-methylphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cccc(CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1
InChIInChI=1S/C19H17N5O/c1-13-6-5-7-14(10-13)11-20-19-22-17-16(18(25)23-19)12-21-24(17)15-8-3-2-4-9-15/h2-10,12H,11H2,1H3,(H2,20,22,23,25)
InChIKeyGZFFFNQINQFACE-UHFFFAOYSA-N
XLogP3.03
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274997
1-phenyl-6-[[3-(1,2,4-triazol-1-yl)phenyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 138989665
6-[(3-fluoro-4-methoxyphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137258246
N,N-dimethyl-4-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]benzamide
CID 137272700
1-phenyl-6-(pyridin-2-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136528257
2-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-3H-quinazolin-4-one
CID 167886339
6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274782
4-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-1H-quinolin-2-one
CID 137271889
6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137271118
6-[(1-methylcyclopentyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275297
1-phenyl-6-(1,3-thiazol-4-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 154741360
6-(cyclopropylmethylamino)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 167962667

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(3-methylphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137274759) is 6-[(3-methylphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(3-methylphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(3-methylphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1cccc(CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1.
What is the InChIKey of 6-[(3-methylphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is GZFFFNQINQFACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-13-6-5-7-14(10-13)11-20-19-22-17-16(18(25)23-19)12-21-24(17)15-8-3-2-4-9-15/h2-10,12H,11H2,1H3,(H2,20,22,23,25).
What are the key properties of 6-[(3-methylphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(3-methylphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 331.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137274759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).