N-[4-[(4-oxo-5H-pyrazolo[3,4-d]pyrimidin-2-yl)methyl]phenyl]benzamide

C19H15N5O2 — CID 135869416

IUPACN-[4-[(4-oxo-5H-pyrazolo[3,4-d]pyrimidin-2-yl)methyl]phenyl]benzamide
SMILESO=C(Nc1ccc(Cn2cc3c(=O)[nH]cnc3n2)cc1)c1ccccc1
InChIInChI=1S/C19H15N5O2/c25-18(14-4-2-1-3-5-14)22-15-8-6-13(7-9-15)10-24-11-16-17(23-24)20-12-21-19(16)26/h1-9,11-12H,10H2,(H,22,25)(H,20,21,23,26)
InChIKeyANKGYQZWGZANOK-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.42
Rot. Bonds4

About N-[4-[(4-oxo-5H-pyrazolo[3,4-d]pyrimidin-2-yl)methyl]phenyl]benzamide

N-[4-[(4-oxo-5H-pyrazolo[3,4-d]pyrimidin-2-yl)methyl]phenyl]benzamide (PubChem CID 135869416) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[4-[(4-oxo-5H-pyrazolo[3,4-d]pyrimidin-2-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(4-oxo-5H-pyrazolo[3,4-d]pyrimidin-2-yl)methyl]phenyl]benzamide
PubChem CID135869416
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC NameN-[4-[(4-oxo-5H-pyrazolo[3,4-d]pyrimidin-2-yl)methyl]phenyl]benzamide
SMILESO=C(Nc1ccc(Cn2cc3c(=O)[nH]cnc3n2)cc1)c1ccccc1
InChIInChI=1S/C19H15N5O2/c25-18(14-4-2-1-3-5-14)22-15-8-6-13(7-9-15)10-24-11-16-17(23-24)20-12-21-19(16)26/h1-9,11-12H,10H2,(H,22,25)(H,20,21,23,26)
InChIKeyANKGYQZWGZANOK-UHFFFAOYSA-N
XLogP2.42
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-
CID 714182
N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]-4-(trifluoromethyl)benzamide
CID 135869418
3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]-1-[4-(trifluoromethyl)phenyl]urea
CID 135869421
4-fluoro-N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869427
SR-318
CID 139030333
18-[3-(Piperazine-1-carbonyl)anilino]-2,8,16,17,19,20-hexazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3(22),4,6,14(21),15,18-heptaen-9-one
CID 135907028
5-amino-N-((4-(((2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl)carbamoyl)phenyl)methyl)-1-phenylpyrazole-4-carboxamide
CID 121232441
3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]-1-phenylurea
CID 135869419
1-(4-fluorophenyl)-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869420
1-(4-benzylphenyl)-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869422
1-benzyl-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869423
N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]-2-phenylacetamide
CID 135869428

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-oxo-5H-pyrazolo[3,4-d]pyrimidin-2-yl)methyl]phenyl]benzamide?
The IUPAC name of N-[4-[(4-oxo-5H-pyrazolo[3,4-d]pyrimidin-2-yl)methyl]phenyl]benzamide (CID 135869416) is N-[4-[(4-oxo-5H-pyrazolo[3,4-d]pyrimidin-2-yl)methyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[(4-oxo-5H-pyrazolo[3,4-d]pyrimidin-2-yl)methyl]phenyl]benzamide?
The canonical SMILES for N-[4-[(4-oxo-5H-pyrazolo[3,4-d]pyrimidin-2-yl)methyl]phenyl]benzamide is O=C(Nc1ccc(Cn2cc3c(=O)[nH]cnc3n2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[(4-oxo-5H-pyrazolo[3,4-d]pyrimidin-2-yl)methyl]phenyl]benzamide?
The InChIKey is ANKGYQZWGZANOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c25-18(14-4-2-1-3-5-14)22-15-8-6-13(7-9-15)10-24-11-16-17(23-24)20-12-21-19(16)26/h1-9,11-12H,10H2,(H,22,25)(H,20,21,23,26).
What are the key properties of N-[4-[(4-oxo-5H-pyrazolo[3,4-d]pyrimidin-2-yl)methyl]phenyl]benzamide?
N-[4-[(4-oxo-5H-pyrazolo[3,4-d]pyrimidin-2-yl)methyl]phenyl]benzamide has a molecular weight of 345.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-oxo-5H-pyrazolo[3,4-d]pyrimidin-2-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 135869416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).