4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propylpyridin-2-amine

C21H18ClFN4 — CID 10293173

IUPAC4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(-c2c(-c3ccc(F)cc3)nn3c(Cl)cccc23)ccn1
InChIInChI=1S/C21H18ClFN4/c1-2-11-24-19-13-15(10-12-25-19)20-17-4-3-5-18(22)27(17)26-21(20)14-6-8-16(23)9-7-14/h3-10,12-13H,2,11H2,1H3,(H,24,25)
InChIKeyKSJXRAKGFZZVQM-UHFFFAOYSA-N
MW380.85 g/mol
LogP5.68
Rot. Bonds5

About 4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propylpyridin-2-amine

4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propylpyridin-2-amine (PubChem CID 10293173) has the molecular formula C21H18ClFN4 and a molecular weight of 380.85 g/mol. Its IUPAC name is 4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propylpyridin-2-amine
PubChem CID10293173
Molecular FormulaC21H18ClFN4
Molecular Weight380.85 g/mol
Exact Mass380.12
IUPAC Name4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(-c2c(-c3ccc(F)cc3)nn3c(Cl)cccc23)ccn1
InChIInChI=1S/C21H18ClFN4/c1-2-11-24-19-13-15(10-12-25-19)20-17-4-3-5-18(22)27(17)26-21(20)14-6-8-16(23)9-7-14/h3-10,12-13H,2,11H2,1H3,(H,24,25)
InChIKeyKSJXRAKGFZZVQM-UHFFFAOYSA-N
XLogP5.68
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.85
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propylpyridin-2-amine?
The IUPAC name of 4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propylpyridin-2-amine (CID 10293173) is 4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propylpyridin-2-amine.
What is the SMILES notation for 4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propylpyridin-2-amine?
The canonical SMILES for 4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propylpyridin-2-amine is CCCNc1cc(-c2c(-c3ccc(F)cc3)nn3c(Cl)cccc23)ccn1.
What is the InChIKey of 4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propylpyridin-2-amine?
The InChIKey is KSJXRAKGFZZVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN4/c1-2-11-24-19-13-15(10-12-25-19)20-17-4-3-5-18(22)27(17)26-21(20)14-6-8-16(23)9-7-14/h3-10,12-13H,2,11H2,1H3,(H,24,25).
What are the key properties of 4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propylpyridin-2-amine?
4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propylpyridin-2-amine has a molecular weight of 380.85 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propylpyridin-2-amine is sourced from PubChem (CID 10293173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).