7-(2,5-dimethoxyphenyl)-3-N-(4-fluorophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

C30H28FN5O5 — CID 135410435

IUPAC7-(2,5-dimethoxyphenyl)-3-N-(4-fluorophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
SMILESCOc1ccc(OC)c(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3c(C(=O)Nc4ccc(F)cc4)cnn32)c1
InChIInChI=1S/C30H28FN5O5/c1-17-26(30(38)35-23-7-5-6-8-25(23)41-4)27(21-15-20(39-2)13-14-24(21)40-3)36-28(33-17)22(16-32-36)29(37)34-19-11-9-18(31)10-12-19/h5-16,27,33H,1-4H3,(H,34,37)(H,35,38)
InChIKeyUWIODJCXRFYBJO-UHFFFAOYSA-N
MW557.58 g/mol
LogP5.23
Rot. Bonds8

About 7-(2,5-dimethoxyphenyl)-3-N-(4-fluorophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

7-(2,5-dimethoxyphenyl)-3-N-(4-fluorophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (PubChem CID 135410435) has the molecular formula C30H28FN5O5 and a molecular weight of 557.58 g/mol. Its IUPAC name is 7-(2,5-dimethoxyphenyl)-3-N-(4-fluorophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.

Molecular Properties

Compound Name7-(2,5-dimethoxyphenyl)-3-N-(4-fluorophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
PubChem CID135410435
Molecular FormulaC30H28FN5O5
Molecular Weight557.58 g/mol
Exact Mass557.21
IUPAC Name7-(2,5-dimethoxyphenyl)-3-N-(4-fluorophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
SMILESCOc1ccc(OC)c(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3c(C(=O)Nc4ccc(F)cc4)cnn32)c1
InChIInChI=1S/C30H28FN5O5/c1-17-26(30(38)35-23-7-5-6-8-25(23)41-4)27(21-15-20(39-2)13-14-24(21)40-3)36-28(33-17)22(16-32-36)29(37)34-19-11-9-18(31)10-12-19/h5-16,27,33H,1-4H3,(H,34,37)(H,35,38)
InChIKeyUWIODJCXRFYBJO-UHFFFAOYSA-N
XLogP5.23
TPSA115.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.58
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(2,5-dimethoxyphenyl)-3-N-(4-fluorophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The IUPAC name of 7-(2,5-dimethoxyphenyl)-3-N-(4-fluorophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (CID 135410435) is 7-(2,5-dimethoxyphenyl)-3-N-(4-fluorophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.
What is the SMILES notation for 7-(2,5-dimethoxyphenyl)-3-N-(4-fluorophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The canonical SMILES for 7-(2,5-dimethoxyphenyl)-3-N-(4-fluorophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is COc1ccc(OC)c(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3c(C(=O)Nc4ccc(F)cc4)cnn32)c1.
What is the InChIKey of 7-(2,5-dimethoxyphenyl)-3-N-(4-fluorophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The InChIKey is UWIODJCXRFYBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN5O5/c1-17-26(30(38)35-23-7-5-6-8-25(23)41-4)27(21-15-20(39-2)13-14-24(21)40-3)36-28(33-17)22(16-32-36)29(37)34-19-11-9-18(31)10-12-19/h5-16,27,33H,1-4H3,(H,34,37)(H,35,38).
What are the key properties of 7-(2,5-dimethoxyphenyl)-3-N-(4-fluorophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
7-(2,5-dimethoxyphenyl)-3-N-(4-fluorophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide has a molecular weight of 557.58 g/mol, XLogP of 5.23, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dimethoxyphenyl)-3-N-(4-fluorophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is sourced from PubChem (CID 135410435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).