3-[[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-cyclopropylamino]propanenitrile

C14H15BrN4 — CID 107081879

IUPAC3-[[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-cyclopropylamino]propanenitrile
SMILESN#CCCN(c1nc2ccccn2c1CBr)C1CC1
InChIInChI=1S/C14H15BrN4/c15-10-12-14(17-13-4-1-2-8-19(12)13)18(9-3-7-16)11-5-6-11/h1-2,4,8,11H,3,5-6,9-10H2
InChIKeyZCCNQPNXTQVNKU-UHFFFAOYSA-N
MW319.21 g/mol
LogP3.11
Rot. Bonds5

About 3-[[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-cyclopropylamino]propanenitrile

3-[[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-cyclopropylamino]propanenitrile (PubChem CID 107081879) has the molecular formula C14H15BrN4 and a molecular weight of 319.21 g/mol. Its IUPAC name is 3-[[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-cyclopropylamino]propanenitrile.

Molecular Properties

Compound Name3-[[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-cyclopropylamino]propanenitrile
PubChem CID107081879
Molecular FormulaC14H15BrN4
Molecular Weight319.21 g/mol
Exact Mass318.05
IUPAC Name3-[[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-cyclopropylamino]propanenitrile
SMILESN#CCCN(c1nc2ccccn2c1CBr)C1CC1
InChIInChI=1S/C14H15BrN4/c15-10-12-14(17-13-4-1-2-8-19(12)13)18(9-3-7-16)11-5-6-11/h1-2,4,8,11H,3,5-6,9-10H2
InChIKeyZCCNQPNXTQVNKU-UHFFFAOYSA-N
XLogP3.11
TPSA44.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 53.11
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]-methylamino]propanenitrile
CID 107079501
3-(bromomethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 107081266
3-(chloromethyl)-N-cyclopropyl-N-ethylimidazo[1,2-a]pyridin-2-amine
CID 43478225
3-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 64520806
3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)imidazo[1,2-a]pyridin-2-amine
CID 107081480
4-[[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-methylamino]benzonitrile
CID 107083029
3-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 107083717
3-(bromomethyl)-N-methyl-N-pentylimidazo[1,2-a]pyridin-2-amine
CID 107080119
3-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-2-amine
CID 107084185
3-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 61448831
3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine
CID 107080729
2-[cyclopropyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 78974146

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-cyclopropylamino]propanenitrile?
The IUPAC name of 3-[[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-cyclopropylamino]propanenitrile (CID 107081879) is 3-[[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-cyclopropylamino]propanenitrile.
What is the SMILES notation for 3-[[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-cyclopropylamino]propanenitrile?
The canonical SMILES for 3-[[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-cyclopropylamino]propanenitrile is N#CCCN(c1nc2ccccn2c1CBr)C1CC1.
What is the InChIKey of 3-[[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-cyclopropylamino]propanenitrile?
The InChIKey is ZCCNQPNXTQVNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4/c15-10-12-14(17-13-4-1-2-8-19(12)13)18(9-3-7-16)11-5-6-11/h1-2,4,8,11H,3,5-6,9-10H2.
What are the key properties of 3-[[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-cyclopropylamino]propanenitrile?
3-[[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-cyclopropylamino]propanenitrile has a molecular weight of 319.21 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-cyclopropylamino]propanenitrile is sourced from PubChem (CID 107081879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).