5-bromo-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine

C17H17BrFN5 — CID 156894998

IUPAC5-bromo-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine
SMILESCC[C@@H](c1ccc(-n2cc(F)cn2)nc1)N(C)c1ccc(Br)cn1
InChIInChI=1S/C17H17BrFN5/c1-3-15(23(2)16-7-5-13(18)9-21-16)12-4-6-17(20-8-12)24-11-14(19)10-22-24/h4-11,15H,3H2,1-2H3/t15-/m0/s1
InChIKeyNQPBTBWWFAAIFX-HNNXBMFYSA-N
MW390.26 g/mol
LogP4.15
Rot. Bonds5

About 5-bromo-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine

5-bromo-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine (PubChem CID 156894998) has the molecular formula C17H17BrFN5 and a molecular weight of 390.26 g/mol. Its IUPAC name is 5-bromo-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine
PubChem CID156894998
Molecular FormulaC17H17BrFN5
Molecular Weight390.26 g/mol
Exact Mass389.07
IUPAC Name5-bromo-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine
SMILESCC[C@@H](c1ccc(-n2cc(F)cn2)nc1)N(C)c1ccc(Br)cn1
InChIInChI=1S/C17H17BrFN5/c1-3-15(23(2)16-7-5-13(18)9-21-16)12-4-6-17(20-8-12)24-11-14(19)10-22-24/h4-11,15H,3H2,1-2H3/t15-/m0/s1
InChIKeyNQPBTBWWFAAIFX-HNNXBMFYSA-N
XLogP4.15
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.26
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine (CID 156894998) is 5-bromo-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine is CC[C@@H](c1ccc(-n2cc(F)cn2)nc1)N(C)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine?
The InChIKey is NQPBTBWWFAAIFX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17BrFN5/c1-3-15(23(2)16-7-5-13(18)9-21-16)12-4-6-17(20-8-12)24-11-14(19)10-22-24/h4-11,15H,3H2,1-2H3/t15-/m0/s1.
What are the key properties of 5-bromo-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine?
5-bromo-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine has a molecular weight of 390.26 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 156894998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).