N'-[4-[6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]propane-1,3-diamine

C21H19BrFN5 — CID 10138128

IUPACN'-[4-[6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]propane-1,3-diamine
SMILESNCCCNc1cc(-c2c(-c3ccc(F)cc3)nn3cc(Br)ccc23)ccn1
InChIInChI=1S/C21H19BrFN5/c22-16-4-7-18-20(15-8-11-26-19(12-15)25-10-1-9-24)21(27-28(18)13-16)14-2-5-17(23)6-3-14/h2-8,11-13H,1,9-10,24H2,(H,25,26)
InChIKeyRZBYBFAEOQARBJ-UHFFFAOYSA-N
MW440.32 g/mol
LogP4.73
Rot. Bonds6

About N'-[4-[6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]propane-1,3-diamine

N'-[4-[6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]propane-1,3-diamine (PubChem CID 10138128) has the molecular formula C21H19BrFN5 and a molecular weight of 440.32 g/mol. Its IUPAC name is N'-[4-[6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-[6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]propane-1,3-diamine
PubChem CID10138128
Molecular FormulaC21H19BrFN5
Molecular Weight440.32 g/mol
Exact Mass439.08
IUPAC NameN'-[4-[6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]propane-1,3-diamine
SMILESNCCCNc1cc(-c2c(-c3ccc(F)cc3)nn3cc(Br)ccc23)ccn1
InChIInChI=1S/C21H19BrFN5/c22-16-4-7-18-20(15-8-11-26-19(12-15)25-10-1-9-24)21(27-28(18)13-16)14-2-5-17(23)6-3-14/h2-8,11-13H,1,9-10,24H2,(H,25,26)
InChIKeyRZBYBFAEOQARBJ-UHFFFAOYSA-N
XLogP4.73
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.32
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-[4-[6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]propane-1,3-diamine?
The IUPAC name of N'-[4-[6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]propane-1,3-diamine (CID 10138128) is N'-[4-[6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]propane-1,3-diamine.
What is the SMILES notation for N'-[4-[6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]propane-1,3-diamine?
The canonical SMILES for N'-[4-[6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]propane-1,3-diamine is NCCCNc1cc(-c2c(-c3ccc(F)cc3)nn3cc(Br)ccc23)ccn1.
What is the InChIKey of N'-[4-[6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]propane-1,3-diamine?
The InChIKey is RZBYBFAEOQARBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrFN5/c22-16-4-7-18-20(15-8-11-26-19(12-15)25-10-1-9-24)21(27-28(18)13-16)14-2-5-17(23)6-3-14/h2-8,11-13H,1,9-10,24H2,(H,25,26).
What are the key properties of N'-[4-[6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]propane-1,3-diamine?
N'-[4-[6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]propane-1,3-diamine has a molecular weight of 440.32 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]propane-1,3-diamine is sourced from PubChem (CID 10138128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).