2-(3-bromophenyl)-3-(2-chloro-5-fluoropyrimidin-4-yl)pyrazolo[1,5-a]pyridine

C17H9BrClFN4 — CID 59513820

IUPAC2-(3-bromophenyl)-3-(2-chloro-5-fluoropyrimidin-4-yl)pyrazolo[1,5-a]pyridine
SMILESFc1cnc(Cl)nc1-c1c(-c2cccc(Br)c2)nn2ccccc12
InChIInChI=1S/C17H9BrClFN4/c18-11-5-3-4-10(8-11)15-14(13-6-1-2-7-24(13)23-15)16-12(20)9-21-17(19)22-16/h1-9H
InChIKeyHFFDCGWCKZCZRV-UHFFFAOYSA-N
MW403.64 g/mol
LogP5.01
Rot. Bonds2

About 2-(3-bromophenyl)-3-(2-chloro-5-fluoropyrimidin-4-yl)pyrazolo[1,5-a]pyridine

2-(3-bromophenyl)-3-(2-chloro-5-fluoropyrimidin-4-yl)pyrazolo[1,5-a]pyridine (PubChem CID 59513820) has the molecular formula C17H9BrClFN4 and a molecular weight of 403.64 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(2-chloro-5-fluoropyrimidin-4-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(2-chloro-5-fluoropyrimidin-4-yl)pyrazolo[1,5-a]pyridine
PubChem CID59513820
Molecular FormulaC17H9BrClFN4
Molecular Weight403.64 g/mol
Exact Mass401.97
IUPAC Name2-(3-bromophenyl)-3-(2-chloro-5-fluoropyrimidin-4-yl)pyrazolo[1,5-a]pyridine
SMILESFc1cnc(Cl)nc1-c1c(-c2cccc(Br)c2)nn2ccccc12
InChIInChI=1S/C17H9BrClFN4/c18-11-5-3-4-10(8-11)15-14(13-6-1-2-7-24(13)23-15)16-12(20)9-21-17(19)22-16/h1-9H
InChIKeyHFFDCGWCKZCZRV-UHFFFAOYSA-N
XLogP5.01
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.64
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(2-chloro-5-fluoropyrimidin-4-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-(3-bromophenyl)-3-(2-chloro-5-fluoropyrimidin-4-yl)pyrazolo[1,5-a]pyridine (CID 59513820) is 2-(3-bromophenyl)-3-(2-chloro-5-fluoropyrimidin-4-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(3-bromophenyl)-3-(2-chloro-5-fluoropyrimidin-4-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-(3-bromophenyl)-3-(2-chloro-5-fluoropyrimidin-4-yl)pyrazolo[1,5-a]pyridine is Fc1cnc(Cl)nc1-c1c(-c2cccc(Br)c2)nn2ccccc12.
What is the InChIKey of 2-(3-bromophenyl)-3-(2-chloro-5-fluoropyrimidin-4-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is HFFDCGWCKZCZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrClFN4/c18-11-5-3-4-10(8-11)15-14(13-6-1-2-7-24(13)23-15)16-12(20)9-21-17(19)22-16/h1-9H.
What are the key properties of 2-(3-bromophenyl)-3-(2-chloro-5-fluoropyrimidin-4-yl)pyrazolo[1,5-a]pyridine?
2-(3-bromophenyl)-3-(2-chloro-5-fluoropyrimidin-4-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 403.64 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(2-chloro-5-fluoropyrimidin-4-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 59513820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).