2-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-3H-quinazolin-4-one

C20H15N7O2 — CID 167886339

IUPAC2-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)nc2ccccc12
InChIInChI=1S/C20H15N7O2/c28-18-13-8-4-5-9-15(13)23-16(24-18)11-21-20-25-17-14(19(29)26-20)10-22-27(17)12-6-2-1-3-7-12/h1-10H,11H2,(H,23,24,28)(H2,21,25,26,29)
InChIKeyGRSHMYXTFZWRRZ-UHFFFAOYSA-N
MW385.39 g/mol
LogP1.96
Rot. Bonds4

About 2-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-3H-quinazolin-4-one

2-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-3H-quinazolin-4-one (PubChem CID 167886339) has the molecular formula C20H15N7O2 and a molecular weight of 385.39 g/mol. Its IUPAC name is 2-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-3H-quinazolin-4-one
PubChem CID167886339
Molecular FormulaC20H15N7O2
Molecular Weight385.39 g/mol
Exact Mass385.13
IUPAC Name2-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)nc2ccccc12
InChIInChI=1S/C20H15N7O2/c28-18-13-8-4-5-9-15(13)23-16(24-18)11-21-20-25-17-14(19(29)26-20)10-22-27(17)12-6-2-1-3-7-12/h1-10H,11H2,(H,23,24,28)(H2,21,25,26,29)
InChIKeyGRSHMYXTFZWRRZ-UHFFFAOYSA-N
XLogP1.96
TPSA121.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

1-phenyl-6-(pyridin-2-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136528257
6-(cyclopropylmethylamino)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 167962667
4-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-1H-quinolin-2-one
CID 137271889
1-phenyl-6-(1,3-thiazol-4-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 154741360
6-[(3-methylphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274759
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-[(2-piperidin-1-ylphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137262155
6-[2-(2,3-dihydro-1H-inden-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275947
6-[2-[4-(hydroxymethyl)phenyl]ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137273758
N,N-dimethyl-4-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]benzamide
CID 137272700
6-[(1-methylcyclopentyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275297
6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274782

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-3H-quinazolin-4-one (CID 167886339) is 2-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-3H-quinazolin-4-one is O=c1[nH]c(CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)nc2ccccc12.
What is the InChIKey of 2-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-3H-quinazolin-4-one?
The InChIKey is GRSHMYXTFZWRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O2/c28-18-13-8-4-5-9-15(13)23-16(24-18)11-21-20-25-17-14(19(29)26-20)10-22-27(17)12-6-2-1-3-7-12/h1-10H,11H2,(H,23,24,28)(H2,21,25,26,29).
What are the key properties of 2-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-3H-quinazolin-4-one?
2-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-3H-quinazolin-4-one has a molecular weight of 385.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 167886339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).