3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-5-amine

C25H27FN6O — CID 10297402

IUPAC3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-5-amine
SMILESCOCCNc1ccn2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCCC4)n3)c2c1
InChIInChI=1S/C25H27FN6O/c1-33-15-13-27-20-11-14-32-22(16-20)23(24(31-32)17-6-8-18(26)9-7-17)21-10-12-28-25(30-21)29-19-4-2-3-5-19/h6-12,14,16,19,27H,2-5,13,15H2,1H3,(H,28,29,30)
InChIKeyFPZNHXIUFKJEHG-UHFFFAOYSA-N
MW446.53 g/mol
LogP5.01
Rot. Bonds8

About 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-5-amine

3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-5-amine (PubChem CID 10297402) has the molecular formula C25H27FN6O and a molecular weight of 446.53 g/mol. Its IUPAC name is 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-5-amine
PubChem CID10297402
Molecular FormulaC25H27FN6O
Molecular Weight446.53 g/mol
Exact Mass446.22
IUPAC Name3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-5-amine
SMILESCOCCNc1ccn2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCCC4)n3)c2c1
InChIInChI=1S/C25H27FN6O/c1-33-15-13-27-20-11-14-32-22(16-20)23(24(31-32)17-6-8-18(26)9-7-17)21-10-12-28-25(30-21)29-19-4-2-3-5-19/h6-12,14,16,19,27H,2-5,13,15H2,1H3,(H,28,29,30)
InChIKeyFPZNHXIUFKJEHG-UHFFFAOYSA-N
XLogP5.01
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.53
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-5-amine (CID 10297402) is 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-5-amine is COCCNc1ccn2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCCC4)n3)c2c1.
What is the InChIKey of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-5-amine?
The InChIKey is FPZNHXIUFKJEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O/c1-33-15-13-27-20-11-14-32-22(16-20)23(24(31-32)17-6-8-18(26)9-7-17)21-10-12-28-25(30-21)29-19-4-2-3-5-19/h6-12,14,16,19,27H,2-5,13,15H2,1H3,(H,28,29,30).
What are the key properties of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-5-amine?
3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-5-amine has a molecular weight of 446.53 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 10297402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).