6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylic acid

C23H19ClFN5O2 — CID 10182484

IUPAC6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2c(-c3ccc(F)cc3)nn3c(Cl)cccc23)nc(NC2CCCC2)n1
InChIInChI=1S/C23H19ClFN5O2/c24-19-7-3-6-18-20(21(29-30(18)19)13-8-10-14(25)11-9-13)16-12-17(22(31)32)28-23(27-16)26-15-4-1-2-5-15/h3,6-12,15H,1-2,4-5H2,(H,31,32)(H,26,27,28)
InChIKeyUMBKZMBLMSTZKH-UHFFFAOYSA-N
MW451.89 g/mol
LogP5.30
Rot. Bonds5

About 6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylic acid

6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylic acid (PubChem CID 10182484) has the molecular formula C23H19ClFN5O2 and a molecular weight of 451.89 g/mol. Its IUPAC name is 6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylic acid
PubChem CID10182484
Molecular FormulaC23H19ClFN5O2
Molecular Weight451.89 g/mol
Exact Mass451.12
IUPAC Name6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2c(-c3ccc(F)cc3)nn3c(Cl)cccc23)nc(NC2CCCC2)n1
InChIInChI=1S/C23H19ClFN5O2/c24-19-7-3-6-18-20(21(29-30(18)19)13-8-10-14(25)11-9-13)16-12-17(22(31)32)28-23(27-16)26-15-4-1-2-5-15/h3,6-12,15H,1-2,4-5H2,(H,31,32)(H,26,27,28)
InChIKeyUMBKZMBLMSTZKH-UHFFFAOYSA-N
XLogP5.30
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.89
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylic acid (CID 10182484) is 6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylic acid is O=C(O)c1cc(-c2c(-c3ccc(F)cc3)nn3c(Cl)cccc23)nc(NC2CCCC2)n1.
What is the InChIKey of 6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylic acid?
The InChIKey is UMBKZMBLMSTZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN5O2/c24-19-7-3-6-18-20(21(29-30(18)19)13-8-10-14(25)11-9-13)16-12-17(22(31)32)28-23(27-16)26-15-4-1-2-5-15/h3,6-12,15H,1-2,4-5H2,(H,31,32)(H,26,27,28).
What are the key properties of 6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylic acid?
6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylic acid has a molecular weight of 451.89 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 10182484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).