1-[1-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-N-methylmethanamine

C15H17BrFN3 — CID 84611501

IUPAC1-[1-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2cc(Br)ccc2F)c2n1CCCC2
InChIInChI=1S/C15H17BrFN3/c1-18-9-14-19-15(13-4-2-3-7-20(13)14)11-8-10(16)5-6-12(11)17/h5-6,8,18H,2-4,7,9H2,1H3
InChIKeyRUFJJWLAHRFGEI-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.51
Rot. Bonds3

About 1-[1-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-N-methylmethanamine

1-[1-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-N-methylmethanamine (PubChem CID 84611501) has the molecular formula C15H17BrFN3 and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-[1-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-N-methylmethanamine
PubChem CID84611501
Molecular FormulaC15H17BrFN3
Molecular Weight338.22 g/mol
Exact Mass337.06
IUPAC Name1-[1-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2cc(Br)ccc2F)c2n1CCCC2
InChIInChI=1S/C15H17BrFN3/c1-18-9-14-19-15(13-4-2-3-7-20(13)14)11-8-10(16)5-6-12(11)17/h5-6,8,18H,2-4,7,9H2,1H3
InChIKeyRUFJJWLAHRFGEI-UHFFFAOYSA-N
XLogP3.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-N-methylmethanamine with MolForge

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Related Compounds

2-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
CID 116854123
1-[4-(5-bromo-2-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine
CID 82973605
1-[4-(5-bromo-2-fluorophenyl)-3-methylphenyl]-N-methylmethanamine
CID 79743412
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114895190
1-[2-(5-bromo-2-fluorophenyl)phenyl]-N-methylmethanamine
CID 79743234
1-[2-(5-bromo-2-fluorophenyl)-4-fluorophenyl]-N-methylmethanamine
CID 114060273
1-[4-(5-bromo-2-methylphenyl)-5-chloro-1-methylimidazol-2-yl]-N-methylmethanamine
CID 84608560
1-[2-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 114906976
5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-ethylimidazol-4-amine
CID 62218846
5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-propylimidazol-4-amine
CID 63469451
3-(5-bromo-2-fluorophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine
CID 79742894
3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984310

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-N-methylmethanamine (CID 84611501) is 1-[1-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-N-methylmethanamine is CNCc1nc(-c2cc(Br)ccc2F)c2n1CCCC2.
What is the InChIKey of 1-[1-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-N-methylmethanamine?
The InChIKey is RUFJJWLAHRFGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3/c1-18-9-14-19-15(13-4-2-3-7-20(13)14)11-8-10(16)5-6-12(11)17/h5-6,8,18H,2-4,7,9H2,1H3.
What are the key properties of 1-[1-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-N-methylmethanamine?
1-[1-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-N-methylmethanamine has a molecular weight of 338.22 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 84611501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).