7-(4-methoxyphenyl)-5-methyl-3-N,6-N-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

C28H25N5O3 — CID 135410416

IUPAC7-(4-methoxyphenyl)-5-methyl-3-N,6-N-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3ccccc3)=C(C)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1
InChIInChI=1S/C28H25N5O3/c1-18-24(28(35)32-21-11-7-4-8-12-21)25(19-13-15-22(36-2)16-14-19)33-26(30-18)23(17-29-33)27(34)31-20-9-5-3-6-10-20/h3-17,25,30H,1-2H3,(H,31,34)(H,32,35)
InChIKeyAPDSTUUWKIDGNN-UHFFFAOYSA-N
MW479.54 g/mol
LogP5.07
Rot. Bonds6

About 7-(4-methoxyphenyl)-5-methyl-3-N,6-N-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

7-(4-methoxyphenyl)-5-methyl-3-N,6-N-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (PubChem CID 135410416) has the molecular formula C28H25N5O3 and a molecular weight of 479.54 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-5-methyl-3-N,6-N-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-5-methyl-3-N,6-N-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
PubChem CID135410416
Molecular FormulaC28H25N5O3
Molecular Weight479.54 g/mol
Exact Mass479.20
IUPAC Name7-(4-methoxyphenyl)-5-methyl-3-N,6-N-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3ccccc3)=C(C)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1
InChIInChI=1S/C28H25N5O3/c1-18-24(28(35)32-21-11-7-4-8-12-21)25(19-13-15-22(36-2)16-14-19)33-26(30-18)23(17-29-33)27(34)31-20-9-5-3-6-10-20/h3-17,25,30H,1-2H3,(H,31,34)(H,32,35)
InChIKeyAPDSTUUWKIDGNN-UHFFFAOYSA-N
XLogP5.07
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.54
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-5-methyl-3-N,6-N-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The IUPAC name of 7-(4-methoxyphenyl)-5-methyl-3-N,6-N-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (CID 135410416) is 7-(4-methoxyphenyl)-5-methyl-3-N,6-N-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.
What is the SMILES notation for 7-(4-methoxyphenyl)-5-methyl-3-N,6-N-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The canonical SMILES for 7-(4-methoxyphenyl)-5-methyl-3-N,6-N-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is COc1ccc(C2C(C(=O)Nc3ccccc3)=C(C)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-5-methyl-3-N,6-N-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The InChIKey is APDSTUUWKIDGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O3/c1-18-24(28(35)32-21-11-7-4-8-12-21)25(19-13-15-22(36-2)16-14-19)33-26(30-18)23(17-29-33)27(34)31-20-9-5-3-6-10-20/h3-17,25,30H,1-2H3,(H,31,34)(H,32,35).
What are the key properties of 7-(4-methoxyphenyl)-5-methyl-3-N,6-N-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
7-(4-methoxyphenyl)-5-methyl-3-N,6-N-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide has a molecular weight of 479.54 g/mol, XLogP of 5.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-5-methyl-3-N,6-N-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is sourced from PubChem (CID 135410416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).