2-methyl-5-(2-methylpropyl)-3-(pyrrolidine-1-carbonyl)thieno[3,2-c]pyridin-4-one

C17H22N2O2S — CID 91927407

IUPAC2-methyl-5-(2-methylpropyl)-3-(pyrrolidine-1-carbonyl)thieno[3,2-c]pyridin-4-one
SMILESCc1sc2ccn(CC(C)C)c(=O)c2c1C(=O)N1CCCC1
InChIInChI=1S/C17H22N2O2S/c1-11(2)10-19-9-6-13-15(17(19)21)14(12(3)22-13)16(20)18-7-4-5-8-18/h6,9,11H,4-5,7-8,10H2,1-3H3
InChIKeyIVCVSSLFONKOFQ-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.26
Rot. Bonds3

About 2-methyl-5-(2-methylpropyl)-3-(pyrrolidine-1-carbonyl)thieno[3,2-c]pyridin-4-one

2-methyl-5-(2-methylpropyl)-3-(pyrrolidine-1-carbonyl)thieno[3,2-c]pyridin-4-one (PubChem CID 91927407) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpropyl)-3-(pyrrolidine-1-carbonyl)thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-methyl-5-(2-methylpropyl)-3-(pyrrolidine-1-carbonyl)thieno[3,2-c]pyridin-4-one
PubChem CID91927407
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name2-methyl-5-(2-methylpropyl)-3-(pyrrolidine-1-carbonyl)thieno[3,2-c]pyridin-4-one
SMILESCc1sc2ccn(CC(C)C)c(=O)c2c1C(=O)N1CCCC1
InChIInChI=1S/C17H22N2O2S/c1-11(2)10-19-9-6-13-15(17(19)21)14(12(3)22-13)16(20)18-7-4-5-8-18/h6,9,11H,4-5,7-8,10H2,1-3H3
InChIKeyIVCVSSLFONKOFQ-UHFFFAOYSA-N
XLogP3.26
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpropyl)-3-(pyrrolidine-1-carbonyl)thieno[3,2-c]pyridin-4-one?
The IUPAC name of 2-methyl-5-(2-methylpropyl)-3-(pyrrolidine-1-carbonyl)thieno[3,2-c]pyridin-4-one (CID 91927407) is 2-methyl-5-(2-methylpropyl)-3-(pyrrolidine-1-carbonyl)thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-methyl-5-(2-methylpropyl)-3-(pyrrolidine-1-carbonyl)thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 2-methyl-5-(2-methylpropyl)-3-(pyrrolidine-1-carbonyl)thieno[3,2-c]pyridin-4-one is Cc1sc2ccn(CC(C)C)c(=O)c2c1C(=O)N1CCCC1.
What is the InChIKey of 2-methyl-5-(2-methylpropyl)-3-(pyrrolidine-1-carbonyl)thieno[3,2-c]pyridin-4-one?
The InChIKey is IVCVSSLFONKOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-11(2)10-19-9-6-13-15(17(19)21)14(12(3)22-13)16(20)18-7-4-5-8-18/h6,9,11H,4-5,7-8,10H2,1-3H3.
What are the key properties of 2-methyl-5-(2-methylpropyl)-3-(pyrrolidine-1-carbonyl)thieno[3,2-c]pyridin-4-one?
2-methyl-5-(2-methylpropyl)-3-(pyrrolidine-1-carbonyl)thieno[3,2-c]pyridin-4-one has a molecular weight of 318.44 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpropyl)-3-(pyrrolidine-1-carbonyl)thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 91927407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).