N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide

C19H13N3O3S — CID 5098694

IUPACN-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1c(-c2cccs2)nc2ccccn12)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H13N3O3S/c23-19(12-6-7-13-14(10-12)25-11-24-13)21-18-17(15-4-3-9-26-15)20-16-5-1-2-8-22(16)18/h1-10H,11H2,(H,21,23)
InChIKeyUBKDZASTTYJNJQ-UHFFFAOYSA-N
MW363.40 g/mol
LogP4.04
Rot. Bonds3

About N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide

N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 5098694) has the molecular formula C19H13N3O3S and a molecular weight of 363.40 g/mol. Its IUPAC name is N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID5098694
Molecular FormulaC19H13N3O3S
Molecular Weight363.40 g/mol
Exact Mass363.07
IUPAC NameN-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1c(-c2cccs2)nc2ccccn12)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H13N3O3S/c23-19(12-6-7-13-14(10-12)25-11-24-13)21-18-17(15-4-3-9-26-15)20-16-5-1-2-8-22(16)18/h1-10H,11H2,(H,21,23)
InChIKeyUBKDZASTTYJNJQ-UHFFFAOYSA-N
XLogP4.04
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 7151261
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 3240486
1-(1,3-benzodioxol-5-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone
CID 1994311
N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
CID 49778730
3,4-dimethoxy-N-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)benzamide
CID 3547707
N-[1-(1H-Benzoimidazol-2-yl)-2-thiophen-2-yl-vinyl]-3,4-dimethoxy-benzamide
CID 5767541
N-(4-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)phenyl)benzo[d][1,3]dioxole-5-carboxamide
CID 7151304
4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-2-carboxamide
CID 76321827
N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-butoxybenzamide
CID 145964248
N-(6,8-dibromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorobutoxy)benzamide
CID 145965603
N-(6,8-dibromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-(3-fluoropropoxy)benzamide
CID 145969631
4-butoxy-N-(6,8-dibromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 145976301

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide (CID 5098694) is N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide is O=C(Nc1c(-c2cccs2)nc2ccccn12)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is UBKDZASTTYJNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S/c23-19(12-6-7-13-14(10-12)25-11-24-13)21-18-17(15-4-3-9-26-15)20-16-5-1-2-8-22(16)18/h1-10H,11H2,(H,21,23).
What are the key properties of N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide?
N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 5098694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).