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

C24H21ClFN5O2 — CID 86616863

IUPACmethyl 6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(-c2c(-c3ccc(F)cc3)nn3c(Cl)cccc23)nc(NC2CCCC2)n1
InChIInChI=1S/C24H21ClFN5O2/c1-33-23(32)18-13-17(28-24(29-18)27-16-5-2-3-6-16)21-19-7-4-8-20(25)31(19)30-22(21)14-9-11-15(26)12-10-14/h4,7-13,16H,2-3,5-6H2,1H3,(H,27,28,29)
InChIKeyYCMJPDKXPDSIGE-UHFFFAOYSA-N
MW465.92 g/mol
LogP5.39
Rot. Bonds5

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

methyl 6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylate (PubChem CID 86616863) has the molecular formula C24H21ClFN5O2 and a molecular weight of 465.92 g/mol. Its IUPAC name is methyl 6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylate
PubChem CID86616863
Molecular FormulaC24H21ClFN5O2
Molecular Weight465.92 g/mol
Exact Mass465.14
IUPAC Namemethyl 6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(-c2c(-c3ccc(F)cc3)nn3c(Cl)cccc23)nc(NC2CCCC2)n1
InChIInChI=1S/C24H21ClFN5O2/c1-33-23(32)18-13-17(28-24(29-18)27-16-5-2-3-6-16)21-19-7-4-8-20(25)31(19)30-22(21)14-9-11-15(26)12-10-14/h4,7-13,16H,2-3,5-6H2,1H3,(H,27,28,29)
InChIKeyYCMJPDKXPDSIGE-UHFFFAOYSA-N
XLogP5.39
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.92
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 methyl 6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylate (CID 86616863) is methyl 6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylate is COC(=O)c1cc(-c2c(-c3ccc(F)cc3)nn3c(Cl)cccc23)nc(NC2CCCC2)n1.
What is the InChIKey of methyl 6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylate?
The InChIKey is YCMJPDKXPDSIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O2/c1-33-23(32)18-13-17(28-24(29-18)27-16-5-2-3-6-16)21-19-7-4-8-20(25)31(19)30-22(21)14-9-11-15(26)12-10-14/h4,7-13,16H,2-3,5-6H2,1H3,(H,27,28,29).
What are the key properties of methyl 6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylate?
methyl 6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylate has a molecular weight of 465.92 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylate is sourced from PubChem (CID 86616863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).