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

C25H22FN5O3 — CID 67540056

IUPAC7-(4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(Nc3ccc(F)cc3)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12
InChIInChI=1S/C25H22FN5O3/c26-18-6-8-19(9-7-18)29-23-20(14-27-22-21(25(33)34)15-28-31(22)23)24(32)30-12-10-17(11-13-30)16-4-2-1-3-5-16/h1-9,14-15,17,29H,10-13H2,(H,33,34)
InChIKeyLYZOQZRPRCMCRB-UHFFFAOYSA-N
MW459.48 g/mol
LogP4.33
Rot. Bonds5

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

7-(4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 67540056) has the molecular formula C25H22FN5O3 and a molecular weight of 459.48 g/mol. Its IUPAC name is 7-(4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-(4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID67540056
Molecular FormulaC25H22FN5O3
Molecular Weight459.48 g/mol
Exact Mass459.17
IUPAC Name7-(4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(Nc3ccc(F)cc3)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12
InChIInChI=1S/C25H22FN5O3/c26-18-6-8-19(9-7-18)29-23-20(14-27-22-21(25(33)34)15-28-31(22)23)24(32)30-12-10-17(11-13-30)16-4-2-1-3-5-16/h1-9,14-15,17,29H,10-13H2,(H,33,34)
InChIKeyLYZOQZRPRCMCRB-UHFFFAOYSA-N
XLogP4.33
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-(4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 67540056) is 7-(4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-(4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-(4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2c(Nc3ccc(F)cc3)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12.
What is the InChIKey of 7-(4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is LYZOQZRPRCMCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O3/c26-18-6-8-19(9-7-18)29-23-20(14-27-22-21(25(33)34)15-28-31(22)23)24(32)30-12-10-17(11-13-30)16-4-2-1-3-5-16/h1-9,14-15,17,29H,10-13H2,(H,33,34).
What are the key properties of 7-(4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-(4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 459.48 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 67540056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).