3-bromo-N-cyclopentyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine

C18H17BrFN3 — CID 69447740

IUPAC3-bromo-N-cyclopentyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine
SMILESFc1ccc(-c2nn3c(NC4CCCC4)cccc3c2Br)cc1
InChIInChI=1S/C18H17BrFN3/c19-17-15-6-3-7-16(21-14-4-1-2-5-14)23(15)22-18(17)12-8-10-13(20)11-9-12/h3,6-11,14,21H,1-2,4-5H2
InChIKeyJPCHUGJACCMNKC-UHFFFAOYSA-N
MW374.26 g/mol
LogP5.26
Rot. Bonds3

About 3-bromo-N-cyclopentyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine

3-bromo-N-cyclopentyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine (PubChem CID 69447740) has the molecular formula C18H17BrFN3 and a molecular weight of 374.26 g/mol. Its IUPAC name is 3-bromo-N-cyclopentyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound Name3-bromo-N-cyclopentyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine
PubChem CID69447740
Molecular FormulaC18H17BrFN3
Molecular Weight374.26 g/mol
Exact Mass373.06
IUPAC Name3-bromo-N-cyclopentyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine
SMILESFc1ccc(-c2nn3c(NC4CCCC4)cccc3c2Br)cc1
InChIInChI=1S/C18H17BrFN3/c19-17-15-6-3-7-16(21-14-4-1-2-5-14)23(15)22-18(17)12-8-10-13(20)11-9-12/h3,6-11,14,21H,1-2,4-5H2
InChIKeyJPCHUGJACCMNKC-UHFFFAOYSA-N
XLogP5.26
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.26
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopentyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine?
The IUPAC name of 3-bromo-N-cyclopentyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine (CID 69447740) is 3-bromo-N-cyclopentyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for 3-bromo-N-cyclopentyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for 3-bromo-N-cyclopentyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine is Fc1ccc(-c2nn3c(NC4CCCC4)cccc3c2Br)cc1.
What is the InChIKey of 3-bromo-N-cyclopentyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine?
The InChIKey is JPCHUGJACCMNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFN3/c19-17-15-6-3-7-16(21-14-4-1-2-5-14)23(15)22-18(17)12-8-10-13(20)11-9-12/h3,6-11,14,21H,1-2,4-5H2.
What are the key properties of 3-bromo-N-cyclopentyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine?
3-bromo-N-cyclopentyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine has a molecular weight of 374.26 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopentyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 69447740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).