4-[(2-fluorophenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[4,5-d]pyrimidine-5,7-dione

C20H17FN4O2 — CID 15988270

IUPAC4-[(2-fluorophenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[4,5-d]pyrimidine-5,7-dione
SMILESCc1ccc(-n2c(=O)c3c(cnn3C)n(Cc3ccccc3F)c2=O)cc1
InChIInChI=1S/C20H17FN4O2/c1-13-7-9-15(10-8-13)25-19(26)18-17(11-22-23(18)2)24(20(25)27)12-14-5-3-4-6-16(14)21/h3-11H,12H2,1-2H3
InChIKeyAOLVIEBWQQURAC-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.38
Rot. Bonds3

About 4-[(2-fluorophenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[4,5-d]pyrimidine-5,7-dione

4-[(2-fluorophenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[4,5-d]pyrimidine-5,7-dione (PubChem CID 15988270) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[4,5-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[4,5-d]pyrimidine-5,7-dione
PubChem CID15988270
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name4-[(2-fluorophenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[4,5-d]pyrimidine-5,7-dione
SMILESCc1ccc(-n2c(=O)c3c(cnn3C)n(Cc3ccccc3F)c2=O)cc1
InChIInChI=1S/C20H17FN4O2/c1-13-7-9-15(10-8-13)25-19(26)18-17(11-22-23(18)2)24(20(25)27)12-14-5-3-4-6-16(14)21/h3-11H,12H2,1-2H3
InChIKeyAOLVIEBWQQURAC-UHFFFAOYSA-N
XLogP2.38
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 137452722
CID 137452722
1,3,10-trimethyl-5-phenylpyrimido[4',5':3,4]pyrrolo[1,2-b]pyridazine-2,4(1H,3H)-dione
CID 753711
N-[1-(2-fluorobenzyl)-3-piperidinyl]-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 24820103
5,7-Dimethyl-9-m-tolyl-5H-1,5,7,9a-tetraaza-fluorene-6,8-dione
CID 651577
3-ethyl-5,5a-dihydro-3H-pyrazolo[3',4':5,6]pyrimido[2,1-a]isoindole-4,10-dione
CID 662173
6-(4-Fluorophenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 709868
US9598423, Example 21
CID 118061946
US9598423, Example 86
CID 118062694
US9598423, Example 16
CID 118069150
US9598423, Example 26
CID 118069158
US9598423, Example 28
CID 118069159
US9598423, Example 29
CID 118069160

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[4,5-d]pyrimidine-5,7-dione?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[4,5-d]pyrimidine-5,7-dione (CID 15988270) is 4-[(2-fluorophenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[4,5-d]pyrimidine-5,7-dione.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[4,5-d]pyrimidine-5,7-dione?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[4,5-d]pyrimidine-5,7-dione is Cc1ccc(-n2c(=O)c3c(cnn3C)n(Cc3ccccc3F)c2=O)cc1.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[4,5-d]pyrimidine-5,7-dione?
The InChIKey is AOLVIEBWQQURAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-13-7-9-15(10-8-13)25-19(26)18-17(11-22-23(18)2)24(20(25)27)12-14-5-3-4-6-16(14)21/h3-11H,12H2,1-2H3.
What are the key properties of 4-[(2-fluorophenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[4,5-d]pyrimidine-5,7-dione?
4-[(2-fluorophenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[4,5-d]pyrimidine-5,7-dione has a molecular weight of 364.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[4,5-d]pyrimidine-5,7-dione is sourced from PubChem (CID 15988270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).