N-butyl-4-[4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine

C22H20F2N4 — CID 11703575

IUPACN-butyl-4-[4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine
SMILESCCCCNc1cc(-c2c(-c3ccc(F)cc3)nn3cccc(F)c23)ccn1
InChIInChI=1S/C22H20F2N4/c1-2-3-11-25-19-14-16(10-12-26-19)20-21(15-6-8-17(23)9-7-15)27-28-13-4-5-18(24)22(20)28/h4-10,12-14H,2-3,11H2,1H3,(H,25,26)
InChIKeyJRQMQUJFGQTIFN-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.55
Rot. Bonds6

About N-butyl-4-[4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine

N-butyl-4-[4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine (PubChem CID 11703575) has the molecular formula C22H20F2N4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-butyl-4-[4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-4-[4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine
PubChem CID11703575
Molecular FormulaC22H20F2N4
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-butyl-4-[4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine
SMILESCCCCNc1cc(-c2c(-c3ccc(F)cc3)nn3cccc(F)c23)ccn1
InChIInChI=1S/C22H20F2N4/c1-2-3-11-25-19-14-16(10-12-26-19)20-21(15-6-8-17(23)9-7-15)27-28-13-4-5-18(24)22(20)28/h4-10,12-14H,2-3,11H2,1H3,(H,25,26)
InChIKeyJRQMQUJFGQTIFN-UHFFFAOYSA-N
XLogP5.55
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-butyl-4-[4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine?
The IUPAC name of N-butyl-4-[4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine (CID 11703575) is N-butyl-4-[4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-butyl-4-[4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine?
The canonical SMILES for N-butyl-4-[4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine is CCCCNc1cc(-c2c(-c3ccc(F)cc3)nn3cccc(F)c23)ccn1.
What is the InChIKey of N-butyl-4-[4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine?
The InChIKey is JRQMQUJFGQTIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4/c1-2-3-11-25-19-14-16(10-12-26-19)20-21(15-6-8-17(23)9-7-15)27-28-13-4-5-18(24)22(20)28/h4-10,12-14H,2-3,11H2,1H3,(H,25,26).
What are the key properties of N-butyl-4-[4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine?
N-butyl-4-[4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine has a molecular weight of 378.43 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[4-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 11703575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).