(7S)-7-(2-fluorophenyl)-3-[(2-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C21H17FN4O4 — CID 136721877

IUPAC(7S)-7-(2-fluorophenyl)-3-[(2-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCOc1ccccc1NC(=O)c1cnn2c1NC(C(=O)O)=C[C@H]2c1ccccc1F
InChIInChI=1S/C21H17FN4O4/c1-30-18-9-5-4-8-15(18)25-20(27)13-11-23-26-17(12-6-2-3-7-14(12)22)10-16(21(28)29)24-19(13)26/h2-11,17,24H,1H3,(H,25,27)(H,28,29)/t17-/m0/s1
InChIKeyYMVBYGPGLPGKCG-KRWDZBQOSA-N
MW408.39 g/mol
LogP3.27
Rot. Bonds5

About (7S)-7-(2-fluorophenyl)-3-[(2-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid

(7S)-7-(2-fluorophenyl)-3-[(2-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 136721877) has the molecular formula C21H17FN4O4 and a molecular weight of 408.39 g/mol. Its IUPAC name is (7S)-7-(2-fluorophenyl)-3-[(2-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name(7S)-7-(2-fluorophenyl)-3-[(2-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID136721877
Molecular FormulaC21H17FN4O4
Molecular Weight408.39 g/mol
Exact Mass408.12
IUPAC Name(7S)-7-(2-fluorophenyl)-3-[(2-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCOc1ccccc1NC(=O)c1cnn2c1NC(C(=O)O)=C[C@H]2c1ccccc1F
InChIInChI=1S/C21H17FN4O4/c1-30-18-9-5-4-8-15(18)25-20(27)13-11-23-26-17(12-6-2-3-7-14(12)22)10-16(21(28)29)24-19(13)26/h2-11,17,24H,1H3,(H,25,27)(H,28,29)/t17-/m0/s1
InChIKeyYMVBYGPGLPGKCG-KRWDZBQOSA-N
XLogP3.27
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (7S)-7-(2-fluorophenyl)-3-[(2-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7S)-7-(2-fluorophenyl)-3-[(2-methylphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136721873
(7S)-7-(2-fluorophenyl)-3-[(4-fluorophenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136919587
(7S)-7-(2-fluorophenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136721890
(7S)-7-(4-methoxyphenyl)-3-[(2-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136919645
(7R)-7-(3-chlorophenyl)-3-[(2-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136722025
7-(2-methoxyphenyl)-3-[(4-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 135656813
(7R)-7-(2,5-dimethoxyphenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136919598
(7S)-3-[(2-ethylphenyl)carbamoyl]-7-(4-fluorophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136698571
(7S)-7-(2-chlorophenyl)-3-[(4-fluorophenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136721831
(7R)-3-[(4-chlorophenyl)carbamoyl]-7-(2-ethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136919555
(7S)-7-(2-bromophenyl)-3-[(3-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136722069
3-[(4-chlorophenyl)carbamoyl]-7-(2-ethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 135656765

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(2-fluorophenyl)-3-[(2-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of (7S)-7-(2-fluorophenyl)-3-[(2-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 136721877) is (7S)-7-(2-fluorophenyl)-3-[(2-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for (7S)-7-(2-fluorophenyl)-3-[(2-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for (7S)-7-(2-fluorophenyl)-3-[(2-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid is COc1ccccc1NC(=O)c1cnn2c1NC(C(=O)O)=C[C@H]2c1ccccc1F.
What is the InChIKey of (7S)-7-(2-fluorophenyl)-3-[(2-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is YMVBYGPGLPGKCG-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H17FN4O4/c1-30-18-9-5-4-8-15(18)25-20(27)13-11-23-26-17(12-6-2-3-7-14(12)22)10-16(21(28)29)24-19(13)26/h2-11,17,24H,1H3,(H,25,27)(H,28,29)/t17-/m0/s1.
What are the key properties of (7S)-7-(2-fluorophenyl)-3-[(2-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
(7S)-7-(2-fluorophenyl)-3-[(2-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 408.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(2-fluorophenyl)-3-[(2-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 136721877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).