3-(bromomethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine

C16H16BrN3S — CID 107081266

IUPAC3-(bromomethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine
SMILESBrCc1c(N(Cc2ccsc2)C2CC2)nc2ccccn12
InChIInChI=1S/C16H16BrN3S/c17-9-14-16(18-15-3-1-2-7-19(14)15)20(13-4-5-13)10-12-6-8-21-11-12/h1-3,6-8,11,13H,4-5,9-10H2
InChIKeyUFBBQCNAFPFTGB-UHFFFAOYSA-N
MW362.30 g/mol
LogP4.46
Rot. Bonds5

About 3-(bromomethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine

3-(bromomethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine (PubChem CID 107081266) has the molecular formula C16H16BrN3S and a molecular weight of 362.30 g/mol. Its IUPAC name is 3-(bromomethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name3-(bromomethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine
PubChem CID107081266
Molecular FormulaC16H16BrN3S
Molecular Weight362.30 g/mol
Exact Mass361.02
IUPAC Name3-(bromomethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine
SMILESBrCc1c(N(Cc2ccsc2)C2CC2)nc2ccccn12
InChIInChI=1S/C16H16BrN3S/c17-9-14-16(18-15-3-1-2-7-19(14)15)20(13-4-5-13)10-12-6-8-21-11-12/h1-3,6-8,11,13H,4-5,9-10H2
InChIKeyUFBBQCNAFPFTGB-UHFFFAOYSA-N
XLogP4.46
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-cyclopropylamino]propanenitrile
CID 107081879
3-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 43528424
3-(chloromethyl)-N-cyclopropyl-N-ethylimidazo[1,2-a]pyridin-2-amine
CID 43478225
3-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 61448831
3-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 64520806
3-(bromomethyl)-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine
CID 107080940
5-(bromomethyl)-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 107081264
3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)imidazo[1,2-a]pyridin-2-amine
CID 107081480
4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325687
6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63729453
1-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylpiperidin-4-amine
CID 107080536
3-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 107083717

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 3-(bromomethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine (CID 107081266) is 3-(bromomethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 3-(bromomethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 3-(bromomethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine is BrCc1c(N(Cc2ccsc2)C2CC2)nc2ccccn12.
What is the InChIKey of 3-(bromomethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine?
The InChIKey is UFBBQCNAFPFTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3S/c17-9-14-16(18-15-3-1-2-7-19(14)15)20(13-4-5-13)10-12-6-8-21-11-12/h1-3,6-8,11,13H,4-5,9-10H2.
What are the key properties of 3-(bromomethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine?
3-(bromomethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine has a molecular weight of 362.30 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 107081266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).