1-(4-fluorophenyl)-5-[(2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

C19H14FN7O2 — CID 135636403

IUPAC1-(4-fluorophenyl)-5-[(2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc2[nH]c(=O)cc(Cn3cnc4c(cnn4-c4ccc(F)cc4)c3=O)n2n1
InChIInChI=1S/C19H14FN7O2/c1-11-6-16-23-17(28)7-14(26(16)24-11)9-25-10-21-18-15(19(25)29)8-22-27(18)13-4-2-12(20)3-5-13/h2-8,10H,9H2,1H3,(H,23,28)
InChIKeyTXNRPVCCSFWXEZ-UHFFFAOYSA-N
MW391.37 g/mol
LogP1.41
Rot. Bonds3

About 1-(4-fluorophenyl)-5-[(2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

1-(4-fluorophenyl)-5-[(2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135636403) has the molecular formula C19H14FN7O2 and a molecular weight of 391.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[(2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[(2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135636403
Molecular FormulaC19H14FN7O2
Molecular Weight391.37 g/mol
Exact Mass391.12
IUPAC Name1-(4-fluorophenyl)-5-[(2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc2[nH]c(=O)cc(Cn3cnc4c(cnn4-c4ccc(F)cc4)c3=O)n2n1
InChIInChI=1S/C19H14FN7O2/c1-11-6-16-23-17(28)7-14(26(16)24-11)9-25-10-21-18-15(19(25)29)8-22-27(18)13-4-2-12(20)3-5-13/h2-8,10H,9H2,1H3,(H,23,28)
InChIKeyTXNRPVCCSFWXEZ-UHFFFAOYSA-N
XLogP1.41
TPSA102.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(4-fluorophenyl)-5-[(2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[(2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-fluorophenyl)-5-[(2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 135636403) is 1-(4-fluorophenyl)-5-[(2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[(2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-[(2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is Cc1cc2[nH]c(=O)cc(Cn3cnc4c(cnn4-c4ccc(F)cc4)c3=O)n2n1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[(2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is TXNRPVCCSFWXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN7O2/c1-11-6-16-23-17(28)7-14(26(16)24-11)9-25-10-21-18-15(19(25)29)8-22-27(18)13-4-2-12(20)3-5-13/h2-8,10H,9H2,1H3,(H,23,28).
What are the key properties of 1-(4-fluorophenyl)-5-[(2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-fluorophenyl)-5-[(2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 391.37 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[(2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135636403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).