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

C16H18N4S — CID 61448831

IUPAC3-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
SMILESNCc1c(N(Cc2cccs2)C2CC2)nc2ccccn12
InChIInChI=1S/C16H18N4S/c17-10-14-16(18-15-5-1-2-8-19(14)15)20(12-6-7-12)11-13-4-3-9-21-13/h1-5,8-9,12H,6-7,10-11,17H2
InChIKeySMKWFDSNAKMIEZ-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.02
Rot. Bonds5

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

3-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine (PubChem CID 61448831) has the molecular formula C16H18N4S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
PubChem CID61448831
Molecular FormulaC16H18N4S
Molecular Weight298.41 g/mol
Exact Mass298.13
IUPAC Name3-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
SMILESNCc1c(N(Cc2cccs2)C2CC2)nc2ccccn12
InChIInChI=1S/C16H18N4S/c17-10-14-16(18-15-5-1-2-8-19(14)15)20(12-6-7-12)11-13-4-3-9-21-13/h1-5,8-9,12H,6-7,10-11,17H2
InChIKeySMKWFDSNAKMIEZ-UHFFFAOYSA-N
XLogP3.02
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine
CID 43611478
3-(bromomethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 107081266
3-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 61432563
3-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 43528424
8-N-cyclopropyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80778465
5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114920935
4-(aminomethyl)-N-cyclopropyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 61449188
5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 114215437
5-N-cyclopropyl-5-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66280123
2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline
CID 107926092
3-[[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-cyclopropylamino]propanenitrile
CID 107081879
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine
CID 61412739

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine (CID 61448831) is 3-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine is NCc1c(N(Cc2cccs2)C2CC2)nc2ccccn12.
What is the InChIKey of 3-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine?
The InChIKey is SMKWFDSNAKMIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c17-10-14-16(18-15-5-1-2-8-19(14)15)20(12-6-7-12)11-13-4-3-9-21-13/h1-5,8-9,12H,6-7,10-11,17H2.
What are the key properties of 3-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine?
3-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine has a molecular weight of 298.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 61448831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).