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

C22H20ClFN4 — CID 10271994

IUPACN-butyl-4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine
SMILESCCCCNc1cc(-c2c(-c3ccc(F)cc3)nn3c(Cl)cccc23)ccn1
InChIInChI=1S/C22H20ClFN4/c1-2-3-12-25-20-14-16(11-13-26-20)21-18-5-4-6-19(23)28(18)27-22(21)15-7-9-17(24)10-8-15/h4-11,13-14H,2-3,12H2,1H3,(H,25,26)
InChIKeyIFFWMEDYOGFZLQ-UHFFFAOYSA-N
MW394.88 g/mol
LogP6.07
Rot. Bonds6

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

N-butyl-4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine (PubChem CID 10271994) has the molecular formula C22H20ClFN4 and a molecular weight of 394.88 g/mol. Its IUPAC name is N-butyl-4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine
PubChem CID10271994
Molecular FormulaC22H20ClFN4
Molecular Weight394.88 g/mol
Exact Mass394.14
IUPAC NameN-butyl-4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine
SMILESCCCCNc1cc(-c2c(-c3ccc(F)cc3)nn3c(Cl)cccc23)ccn1
InChIInChI=1S/C22H20ClFN4/c1-2-3-12-25-20-14-16(11-13-26-20)21-18-5-4-6-19(23)28(18)27-22(21)15-7-9-17(24)10-8-15/h4-11,13-14H,2-3,12H2,1H3,(H,25,26)
InChIKeyIFFWMEDYOGFZLQ-UHFFFAOYSA-N
XLogP6.07
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.88
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine?
The IUPAC name of N-butyl-4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine (CID 10271994) is N-butyl-4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-butyl-4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine?
The canonical SMILES for N-butyl-4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine is CCCCNc1cc(-c2c(-c3ccc(F)cc3)nn3c(Cl)cccc23)ccn1.
What is the InChIKey of N-butyl-4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine?
The InChIKey is IFFWMEDYOGFZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4/c1-2-3-12-25-20-14-16(11-13-26-20)21-18-5-4-6-19(23)28(18)27-22(21)15-7-9-17(24)10-8-15/h4-11,13-14H,2-3,12H2,1H3,(H,25,26).
What are the key properties of N-butyl-4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine?
N-butyl-4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine has a molecular weight of 394.88 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 10271994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).