N,N-dimethyl-4-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]benzamide

C21H20N6O2 — CID 137272700

IUPACN,N-dimethyl-4-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]benzamide
SMILESCN(C)C(=O)c1ccc(CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1
InChIInChI=1S/C21H20N6O2/c1-26(2)20(29)15-10-8-14(9-11-15)12-22-21-24-18-17(19(28)25-21)13-23-27(18)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H2,22,24,25,28)
InChIKeyDJUYOQQRDPLZKO-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.42
Rot. Bonds5

About N,N-dimethyl-4-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]benzamide

N,N-dimethyl-4-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]benzamide (PubChem CID 137272700) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]benzamide
PubChem CID137272700
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN,N-dimethyl-4-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]benzamide
SMILESCN(C)C(=O)c1ccc(CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1
InChIInChI=1S/C21H20N6O2/c1-26(2)20(29)15-10-8-14(9-11-15)12-22-21-24-18-17(19(28)25-21)13-23-27(18)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H2,22,24,25,28)
InChIKeyDJUYOQQRDPLZKO-UHFFFAOYSA-N
XLogP2.42
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-4-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]benzamide with MolForge

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Related Compounds

6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274782
6-[(3-methylphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274759
6-[2-[4-(hydroxymethyl)phenyl]ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137273758
6-[(3-fluoro-4-methoxyphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137258246
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-methyl-1,2,4-triazol-3-yl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137271118
1-phenyl-6-[[3-(1,2,4-triazol-1-yl)phenyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 138989665
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
6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137267419
6-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274997

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]benzamide (CID 137272700) is N,N-dimethyl-4-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]benzamide is CN(C)C(=O)c1ccc(CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]benzamide?
The InChIKey is DJUYOQQRDPLZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-26(2)20(29)15-10-8-14(9-11-15)12-22-21-24-18-17(19(28)25-21)13-23-27(18)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H2,22,24,25,28).
What are the key properties of N,N-dimethyl-4-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]benzamide?
N,N-dimethyl-4-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]benzamide has a molecular weight of 388.43 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]benzamide is sourced from PubChem (CID 137272700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).