1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine

C17H19N3S — CID 61206659

IUPAC1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
SMILESCc1nc2ccccn2c1CNCc1cc2c(s1)CCC2
InChIInChI=1S/C17H19N3S/c1-12-15(20-8-3-2-7-17(20)19-12)11-18-10-14-9-13-5-4-6-16(13)21-14/h2-3,7-9,18H,4-6,10-11H2,1H3
InChIKeyRDKRGWJRYBJQMC-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.48
Rot. Bonds4

About 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine (PubChem CID 61206659) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
PubChem CID61206659
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
SMILESCc1nc2ccccn2c1CNCc1cc2c(s1)CCC2
InChIInChI=1S/C17H19N3S/c1-12-15(20-8-3-2-7-17(20)19-12)11-18-10-14-9-13-5-4-6-16(13)21-14/h2-3,7-9,18H,4-6,10-11H2,1H3
InChIKeyRDKRGWJRYBJQMC-UHFFFAOYSA-N
XLogP3.48
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 61208162
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 43760891
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43767977
N-[(1-methylcyclohexyl)methyl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 103753056
N-[(1-ethylcyclobutyl)methyl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 103745519
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-6-methylpyridin-2-amine
CID 61208380
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfinylethanamine
CID 115685656
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
CID 64800474
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine
CID 63982688
1-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63292031
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
CID 54896187
3-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]benzene-1,2-diol
CID 61320351

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine (CID 61206659) is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine is Cc1nc2ccccn2c1CNCc1cc2c(s1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine?
The InChIKey is RDKRGWJRYBJQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-12-15(20-8-3-2-7-17(20)19-12)11-18-10-14-9-13-5-4-6-16(13)21-14/h2-3,7-9,18H,4-6,10-11H2,1H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine?
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine has a molecular weight of 297.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine is sourced from PubChem (CID 61206659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).