7-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H23FN4O2 — CID 135410481

IUPAC7-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C2=CC(c3ccc(F)cc3)n3ncc(C(=O)Nc4ccc(C)cc4)c3N2)cc1
InChIInChI=1S/C27H23FN4O2/c1-17-3-11-21(12-4-17)30-27(33)23-16-29-32-25(19-5-9-20(28)10-6-19)15-24(31-26(23)32)18-7-13-22(34-2)14-8-18/h3-16,25,31H,1-2H3,(H,30,33)
InChIKeyORBUOAHGYUNKPA-UHFFFAOYSA-N
MW454.51 g/mol
LogP5.65
Rot. Bonds5

About 7-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135410481) has the molecular formula C27H23FN4O2 and a molecular weight of 454.51 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135410481
Molecular FormulaC27H23FN4O2
Molecular Weight454.51 g/mol
Exact Mass454.18
IUPAC Name7-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C2=CC(c3ccc(F)cc3)n3ncc(C(=O)Nc4ccc(C)cc4)c3N2)cc1
InChIInChI=1S/C27H23FN4O2/c1-17-3-11-21(12-4-17)30-27(33)23-16-29-32-25(19-5-9-20(28)10-6-19)15-24(31-26(23)32)18-7-13-22(34-2)14-8-18/h3-16,25,31H,1-2H3,(H,30,33)
InChIKeyORBUOAHGYUNKPA-UHFFFAOYSA-N
XLogP5.65
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135410481) is 7-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(C2=CC(c3ccc(F)cc3)n3ncc(C(=O)Nc4ccc(C)cc4)c3N2)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ORBUOAHGYUNKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O2/c1-17-3-11-21(12-4-17)30-27(33)23-16-29-32-25(19-5-9-20(28)10-6-19)15-24(31-26(23)32)18-7-13-22(34-2)14-8-18/h3-16,25,31H,1-2H3,(H,30,33).
What are the key properties of 7-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 454.51 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135410481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).