5-[(2,6-difluorophenyl)methyl]-2-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one

C18H13F2N5O — CID 10269474

IUPAC5-[(2,6-difluorophenyl)methyl]-2-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one
SMILESO=c1c2cn(Cc3ccccn3)nc2ncn1Cc1c(F)cccc1F
InChIInChI=1S/C18H13F2N5O/c19-15-5-3-6-16(20)13(15)9-24-11-22-17-14(18(24)26)10-25(23-17)8-12-4-1-2-7-21-12/h1-7,10-11H,8-9H2
InChIKeyCGZHZRXOEAEINF-UHFFFAOYSA-N
MW353.33 g/mol
LogP2.36
Rot. Bonds4

About 5-[(2,6-difluorophenyl)methyl]-2-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one

5-[(2,6-difluorophenyl)methyl]-2-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 10269474) has the molecular formula C18H13F2N5O and a molecular weight of 353.33 g/mol. Its IUPAC name is 5-[(2,6-difluorophenyl)methyl]-2-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(2,6-difluorophenyl)methyl]-2-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID10269474
Molecular FormulaC18H13F2N5O
Molecular Weight353.33 g/mol
Exact Mass353.11
IUPAC Name5-[(2,6-difluorophenyl)methyl]-2-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one
SMILESO=c1c2cn(Cc3ccccn3)nc2ncn1Cc1c(F)cccc1F
InChIInChI=1S/C18H13F2N5O/c19-15-5-3-6-16(20)13(15)9-24-11-22-17-14(18(24)26)10-25(23-17)8-12-4-1-2-7-21-12/h1-7,10-11H,8-9H2
InChIKeyCGZHZRXOEAEINF-UHFFFAOYSA-N
XLogP2.36
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(difluoromethyl)-N-(4-fluorobenzyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 975267
1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-
CID 714182
7-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2777692
3-(2,6-Diethylphenyl)-5-[3-(3-fluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-6-hydroxy-2-(1-methylpyrazol-3-yl)pyrimidin-4-one
CID 137198078
5-Allyl-6-benzyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 722802
7-(Difluoromethyl)-5-(4-methylphenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 1094006
8-[4-[2-[(4-Fluorophenyl)methyl-Methyl-Amino]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567108
3-(2,6-diethylphenyl)-5-[(3R)-3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-6-hydroxy-2-(1-methylpyrazol-3-yl)pyrimidin-4-one
CID 168293355
3-(3-Fluorophenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one
CID 7162117
N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 652197
7-(difluoromethyl)-N-(2-fluorobenzyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1226323
7-(difluoromethyl)-3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 2945472

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenyl)methyl]-2-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(2,6-difluorophenyl)methyl]-2-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one (CID 10269474) is 5-[(2,6-difluorophenyl)methyl]-2-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(2,6-difluorophenyl)methyl]-2-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(2,6-difluorophenyl)methyl]-2-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one is O=c1c2cn(Cc3ccccn3)nc2ncn1Cc1c(F)cccc1F.
What is the InChIKey of 5-[(2,6-difluorophenyl)methyl]-2-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is CGZHZRXOEAEINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O/c19-15-5-3-6-16(20)13(15)9-24-11-22-17-14(18(24)26)10-25(23-17)8-12-4-1-2-7-21-12/h1-7,10-11H,8-9H2.
What are the key properties of 5-[(2,6-difluorophenyl)methyl]-2-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one?
5-[(2,6-difluorophenyl)methyl]-2-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 353.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluorophenyl)methyl]-2-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 10269474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).