5-bromo-N-ethyl-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]pyridin-2-amine

C16H15BrFN5 — CID 166793052

IUPAC5-bromo-N-ethyl-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]pyridin-2-amine
SMILESCCN(Cc1ccc(-n2cc(F)cn2)nc1)c1ccc(Br)cn1
InChIInChI=1S/C16H15BrFN5/c1-2-22(15-6-4-13(17)8-20-15)10-12-3-5-16(19-7-12)23-11-14(18)9-21-23/h3-9,11H,2,10H2,1H3
InChIKeyYOANRNDLDOACBR-UHFFFAOYSA-N
MW376.23 g/mol
LogP3.59
Rot. Bonds5

About 5-bromo-N-ethyl-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]pyridin-2-amine

5-bromo-N-ethyl-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]pyridin-2-amine (PubChem CID 166793052) has the molecular formula C16H15BrFN5 and a molecular weight of 376.23 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]pyridin-2-amine
PubChem CID166793052
Molecular FormulaC16H15BrFN5
Molecular Weight376.23 g/mol
Exact Mass375.05
IUPAC Name5-bromo-N-ethyl-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]pyridin-2-amine
SMILESCCN(Cc1ccc(-n2cc(F)cn2)nc1)c1ccc(Br)cn1
InChIInChI=1S/C16H15BrFN5/c1-2-22(15-6-4-13(17)8-20-15)10-12-3-5-16(19-7-12)23-11-14(18)9-21-23/h3-9,11H,2,10H2,1H3
InChIKeyYOANRNDLDOACBR-UHFFFAOYSA-N
XLogP3.59
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.23
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]pyridin-2-amine (CID 166793052) is 5-bromo-N-ethyl-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]pyridin-2-amine is CCN(Cc1ccc(-n2cc(F)cn2)nc1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-ethyl-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]pyridin-2-amine?
The InChIKey is YOANRNDLDOACBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN5/c1-2-22(15-6-4-13(17)8-20-15)10-12-3-5-16(19-7-12)23-11-14(18)9-21-23/h3-9,11H,2,10H2,1H3.
What are the key properties of 5-bromo-N-ethyl-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]pyridin-2-amine?
5-bromo-N-ethyl-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]pyridin-2-amine has a molecular weight of 376.23 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]pyridin-2-amine is sourced from PubChem (CID 166793052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).