[3-(5-bromothiophen-2-yl)imidazo[1,5-a]pyridin-6-yl]methanamine

C12H10BrN3S — CID 117138325

IUPAC[3-(5-bromothiophen-2-yl)imidazo[1,5-a]pyridin-6-yl]methanamine
SMILESNCc1ccc2cnc(-c3ccc(Br)s3)n2c1
InChIInChI=1S/C12H10BrN3S/c13-11-4-3-10(17-11)12-15-6-9-2-1-8(5-14)7-16(9)12/h1-4,6-7H,5,14H2
InChIKeyWIZAQYSIDNJNSY-UHFFFAOYSA-N
MW308.20 g/mol
LogP3.28
Rot. Bonds2

About [3-(5-bromothiophen-2-yl)imidazo[1,5-a]pyridin-6-yl]methanamine

[3-(5-bromothiophen-2-yl)imidazo[1,5-a]pyridin-6-yl]methanamine (PubChem CID 117138325) has the molecular formula C12H10BrN3S and a molecular weight of 308.20 g/mol. Its IUPAC name is [3-(5-bromothiophen-2-yl)imidazo[1,5-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[3-(5-bromothiophen-2-yl)imidazo[1,5-a]pyridin-6-yl]methanamine
PubChem CID117138325
Molecular FormulaC12H10BrN3S
Molecular Weight308.20 g/mol
Exact Mass306.98
IUPAC Name[3-(5-bromothiophen-2-yl)imidazo[1,5-a]pyridin-6-yl]methanamine
SMILESNCc1ccc2cnc(-c3ccc(Br)s3)n2c1
InChIInChI=1S/C12H10BrN3S/c13-11-4-3-10(17-11)12-15-6-9-2-1-8(5-14)7-16(9)12/h1-4,6-7H,5,14H2
InChIKeyWIZAQYSIDNJNSY-UHFFFAOYSA-N
XLogP3.28
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-bromophenyl)imidazo[1,5-a]pyridin-6-yl]methanamine
CID 117138416
[3-(5-bromothiophen-2-yl)imidazo[1,5-a]pyridin-8-yl]methanamine
CID 117145796
[2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 81462365
[3-[(2-bromophenyl)methyl]imidazo[1,5-a]pyridin-6-yl]methanamine
CID 117138359
[3-(3-methoxyphenyl)imidazo[1,5-a]pyridin-6-yl]methanamine
CID 117138394
3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridin-6-ol
CID 117139429
(3-piperidin-4-ylimidazo[1,5-a]pyridin-6-yl)methanamine
CID 117138198
[3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridin-6-yl]methanamine
CID 117138194
(3-piperidin-2-ylimidazo[1,5-a]pyridin-6-yl)methanamine
CID 117138268
(3-pyrrolidin-3-ylimidazo[1,5-a]pyridin-6-yl)methanamine
CID 117138184
[3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridin-6-yl]methanamine
CID 117138282
(6-fluoroimidazo[1,5-a]pyridin-3-yl)methanamine
CID 83873255

Frequently Asked Questions

What is the IUPAC name of [3-(5-bromothiophen-2-yl)imidazo[1,5-a]pyridin-6-yl]methanamine?
The IUPAC name of [3-(5-bromothiophen-2-yl)imidazo[1,5-a]pyridin-6-yl]methanamine (CID 117138325) is [3-(5-bromothiophen-2-yl)imidazo[1,5-a]pyridin-6-yl]methanamine.
What is the SMILES notation for [3-(5-bromothiophen-2-yl)imidazo[1,5-a]pyridin-6-yl]methanamine?
The canonical SMILES for [3-(5-bromothiophen-2-yl)imidazo[1,5-a]pyridin-6-yl]methanamine is NCc1ccc2cnc(-c3ccc(Br)s3)n2c1.
What is the InChIKey of [3-(5-bromothiophen-2-yl)imidazo[1,5-a]pyridin-6-yl]methanamine?
The InChIKey is WIZAQYSIDNJNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3S/c13-11-4-3-10(17-11)12-15-6-9-2-1-8(5-14)7-16(9)12/h1-4,6-7H,5,14H2.
What are the key properties of [3-(5-bromothiophen-2-yl)imidazo[1,5-a]pyridin-6-yl]methanamine?
[3-(5-bromothiophen-2-yl)imidazo[1,5-a]pyridin-6-yl]methanamine has a molecular weight of 308.20 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-bromothiophen-2-yl)imidazo[1,5-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 117138325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).