(7R)-7-(2,5-dimethoxyphenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C22H20N4O5 — CID 136919598

IUPAC(7R)-7-(2,5-dimethoxyphenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCOc1ccc(OC)c([C@H]2C=C(C(=O)O)Nc3c(C(=O)Nc4ccccc4)cnn32)c1
InChIInChI=1S/C22H20N4O5/c1-30-14-8-9-19(31-2)15(10-14)18-11-17(22(28)29)25-20-16(12-23-26(18)20)21(27)24-13-6-4-3-5-7-13/h3-12,18,25H,1-2H3,(H,24,27)(H,28,29)/t18-/m1/s1
InChIKeyIQLHNYNTGMQWPP-GOSISDBHSA-N
MW420.43 g/mol
LogP3.14
Rot. Bonds6

About (7R)-7-(2,5-dimethoxyphenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid

(7R)-7-(2,5-dimethoxyphenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 136919598) has the molecular formula C22H20N4O5 and a molecular weight of 420.43 g/mol. Its IUPAC name is (7R)-7-(2,5-dimethoxyphenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name(7R)-7-(2,5-dimethoxyphenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID136919598
Molecular FormulaC22H20N4O5
Molecular Weight420.43 g/mol
Exact Mass420.14
IUPAC Name(7R)-7-(2,5-dimethoxyphenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCOc1ccc(OC)c([C@H]2C=C(C(=O)O)Nc3c(C(=O)Nc4ccccc4)cnn32)c1
InChIInChI=1S/C22H20N4O5/c1-30-14-8-9-19(31-2)15(10-14)18-11-17(22(28)29)25-20-16(12-23-26(18)20)21(27)24-13-6-4-3-5-7-13/h3-12,18,25H,1-2H3,(H,24,27)(H,28,29)/t18-/m1/s1
InChIKeyIQLHNYNTGMQWPP-GOSISDBHSA-N
XLogP3.14
TPSA114.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(7R)-3-[(4-chlorophenyl)carbamoyl]-7-(2,5-dimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136919509
7-(2-methoxyphenyl)-3-[(4-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 135656813
(7S)-7-(2-bromophenyl)-3-[(3-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136722069
(7S)-7-(4-methoxyphenyl)-3-[(2-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136919645
(7S)-7-(2-fluorophenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136721890
(7R)-3-[(4-chlorophenyl)carbamoyl]-7-(4-methoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136721964
(7S)-3-[(3-chloro-4-methoxyphenyl)carbamoyl]-7-(4-ethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136721681
(7S)-7-(2-fluorophenyl)-3-[(2-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136721877
6-N-(4-chlorophenyl)-7-(2,5-dimethoxyphenyl)-5-methyl-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 135572721
3-[(3-methoxyphenyl)carbamoyl]-7-[(E)-2-phenylethenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 135656805
(7S)-7-(4-chlorophenyl)-3-[(3,4-dimethoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136721912
(7S)-7-(2-fluorophenyl)-3-[(4-fluorophenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136919587

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(2,5-dimethoxyphenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of (7R)-7-(2,5-dimethoxyphenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 136919598) is (7R)-7-(2,5-dimethoxyphenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for (7R)-7-(2,5-dimethoxyphenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for (7R)-7-(2,5-dimethoxyphenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid is COc1ccc(OC)c([C@H]2C=C(C(=O)O)Nc3c(C(=O)Nc4ccccc4)cnn32)c1.
What is the InChIKey of (7R)-7-(2,5-dimethoxyphenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is IQLHNYNTGMQWPP-GOSISDBHSA-N. The full InChI is InChI=1S/C22H20N4O5/c1-30-14-8-9-19(31-2)15(10-14)18-11-17(22(28)29)25-20-16(12-23-26(18)20)21(27)24-13-6-4-3-5-7-13/h3-12,18,25H,1-2H3,(H,24,27)(H,28,29)/t18-/m1/s1.
What are the key properties of (7R)-7-(2,5-dimethoxyphenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
(7R)-7-(2,5-dimethoxyphenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 420.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(2,5-dimethoxyphenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 136919598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).