7-(2-chloro-4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C25H21ClFN5O3 — CID 67540373

IUPAC7-(2-chloro-4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(Nc3ccc(F)cc3Cl)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12
InChIInChI=1S/C25H21ClFN5O3/c26-20-12-17(27)6-7-21(20)30-23-18(13-28-22-19(25(34)35)14-29-32(22)23)24(33)31-10-8-16(9-11-31)15-4-2-1-3-5-15/h1-7,12-14,16,30H,8-11H2,(H,34,35)
InChIKeyBMIPBZCODIABNY-UHFFFAOYSA-N
MW493.93 g/mol
LogP4.98
Rot. Bonds5

About 7-(2-chloro-4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-(2-chloro-4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 67540373) has the molecular formula C25H21ClFN5O3 and a molecular weight of 493.93 g/mol. Its IUPAC name is 7-(2-chloro-4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-(2-chloro-4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID67540373
Molecular FormulaC25H21ClFN5O3
Molecular Weight493.93 g/mol
Exact Mass493.13
IUPAC Name7-(2-chloro-4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(Nc3ccc(F)cc3Cl)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12
InChIInChI=1S/C25H21ClFN5O3/c26-20-12-17(27)6-7-21(20)30-23-18(13-28-22-19(25(34)35)14-29-32(22)23)24(33)31-10-8-16(9-11-31)15-4-2-1-3-5-15/h1-7,12-14,16,30H,8-11H2,(H,34,35)
InChIKeyBMIPBZCODIABNY-UHFFFAOYSA-N
XLogP4.98
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.93
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(2-chloro-4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-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

Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-(2-chloro-4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 67540373) is 7-(2-chloro-4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-(2-chloro-4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-(2-chloro-4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2c(Nc3ccc(F)cc3Cl)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12.
What is the InChIKey of 7-(2-chloro-4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is BMIPBZCODIABNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN5O3/c26-20-12-17(27)6-7-21(20)30-23-18(13-28-22-19(25(34)35)14-29-32(22)23)24(33)31-10-8-16(9-11-31)15-4-2-1-3-5-15/h1-7,12-14,16,30H,8-11H2,(H,34,35).
What are the key properties of 7-(2-chloro-4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-(2-chloro-4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 493.93 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 67540373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).