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

C17H17BrFN5 — CID 166792955

IUPAC5-bromo-N-[(1S)-1-[6-(4-fluoro-1H-pyrazol-5-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine
SMILESCC[C@@H](c1ccc(-c2[nH]ncc2F)nc1)N(C)c1ccc(Br)cn1
InChIInChI=1S/C17H17BrFN5/c1-3-15(24(2)16-7-5-12(18)9-21-16)11-4-6-14(20-8-11)17-13(19)10-22-23-17/h4-10,15H,3H2,1-2H3,(H,22,23)/t15-/m0/s1
InChIKeyYZIOJMCNRUZYCA-HNNXBMFYSA-N
MW390.26 g/mol
LogP4.36
Rot. Bonds5

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

5-bromo-N-[(1S)-1-[6-(4-fluoro-1H-pyrazol-5-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine (PubChem CID 166792955) 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-fluoro-1H-pyrazol-5-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(1S)-1-[6-(4-fluoro-1H-pyrazol-5-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine
PubChem CID166792955
Molecular FormulaC17H17BrFN5
Molecular Weight390.26 g/mol
Exact Mass389.07
IUPAC Name5-bromo-N-[(1S)-1-[6-(4-fluoro-1H-pyrazol-5-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine
SMILESCC[C@@H](c1ccc(-c2[nH]ncc2F)nc1)N(C)c1ccc(Br)cn1
InChIInChI=1S/C17H17BrFN5/c1-3-15(24(2)16-7-5-12(18)9-21-16)11-4-6-14(20-8-11)17-13(19)10-22-23-17/h4-10,15H,3H2,1-2H3,(H,22,23)/t15-/m0/s1
InChIKeyYZIOJMCNRUZYCA-HNNXBMFYSA-N
XLogP4.36
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.26
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[(1S)-1-[6-(4-fluoro-1H-pyrazol-5-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine with MolForge

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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
5-bromo-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 61373581
5-bromo-N-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 61373959
5-bromo-N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-N-methylpyridin-2-amine
CID 166807108
5-bromo-N-(1-methoxyethyl)-N-methylpyridin-2-amine
CID 174422412
1-[(5-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333552
5-bromo-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine
CID 115146878
5-bromo-N-ethyl-N-methylpyridin-2-amine;2,5-dibromopyridine;N-methylethanamine
CID 159087569
2-[[5-(1-aminoethyl)-2-pyridinyl]-methylamino]propan-1-ol
CID 104552403
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
2-N-(5-bromo-2-pyridinyl)-2-N-cyclopropylpropane-1,2-diamine
CID 83844900
5-[(1S)-1-aminopropyl]-N-ethyl-N-methylpyridin-2-amine
CID 124502810

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1S)-1-[6-(4-fluoro-1H-pyrazol-5-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[(1S)-1-[6-(4-fluoro-1H-pyrazol-5-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine (CID 166792955) is 5-bromo-N-[(1S)-1-[6-(4-fluoro-1H-pyrazol-5-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(1S)-1-[6-(4-fluoro-1H-pyrazol-5-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(1S)-1-[6-(4-fluoro-1H-pyrazol-5-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine is CC[C@@H](c1ccc(-c2[nH]ncc2F)nc1)N(C)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[(1S)-1-[6-(4-fluoro-1H-pyrazol-5-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine?
The InChIKey is YZIOJMCNRUZYCA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17BrFN5/c1-3-15(24(2)16-7-5-12(18)9-21-16)11-4-6-14(20-8-11)17-13(19)10-22-23-17/h4-10,15H,3H2,1-2H3,(H,22,23)/t15-/m0/s1.
What are the key properties of 5-bromo-N-[(1S)-1-[6-(4-fluoro-1H-pyrazol-5-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine?
5-bromo-N-[(1S)-1-[6-(4-fluoro-1H-pyrazol-5-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine has a molecular weight of 390.26 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1S)-1-[6-(4-fluoro-1H-pyrazol-5-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 166792955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).