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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Related Compounds

5-bromo-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine
CID 156894998
N'-(5-bromo-2-pyridinyl)-N'-ethyl-N-iodo-N-methylethane-1,2-diamine
CID 165394201
5-bromo-N-(2-chloroethyl)-N-ethylpyridin-2-amine
CID 63392030
3-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-5-carboxamide
CID 175369199
5-bromo-2-(4-methoxypyrazol-1-yl)pyridine
CID 130511258
3-[1-(5-bromo-2-pyridinyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 65349761
5-(bromomethyl)-2-(4-ethylpyrazol-1-yl)pyridine
CID 164655777
5-bromo-2-[4-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine
CID 166174831
N-[[6-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 55059708
5-bromo-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 63463815
6-(4-fluoropyrazol-1-yl)pyridine-3-carboxylic acid;1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone
CID 164997926
[6-[ethyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]methanol
CID 54948162

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).