N-(cyclopropylmethyl)-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide

C25H22N4O2S2 — CID 20767915

IUPACN-(cyclopropylmethyl)-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide
SMILESCc1sc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)NCC1CC1
InChIInChI=1S/C25H22N4O2S2/c1-14-22(25(30)28-13-15-3-4-15)17-6-5-16(11-20(17)32-14)31-19-7-8-26-18-12-21(33-23(18)19)24-27-9-10-29(24)2/h5-12,15H,3-4,13H2,1-2H3,(H,28,30)
InChIKeyFDLBONYVLJRTIL-UHFFFAOYSA-N
MW474.61 g/mol
LogP6.15
Rot. Bonds6

About N-(cyclopropylmethyl)-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide

N-(cyclopropylmethyl)-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide (PubChem CID 20767915) has the molecular formula C25H22N4O2S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide
PubChem CID20767915
Molecular FormulaC25H22N4O2S2
Molecular Weight474.61 g/mol
Exact Mass474.12
IUPAC NameN-(cyclopropylmethyl)-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide
SMILESCc1sc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)NCC1CC1
InChIInChI=1S/C25H22N4O2S2/c1-14-22(25(30)28-13-15-3-4-15)17-6-5-16(11-20(17)32-14)31-19-7-8-26-18-12-21(33-23(18)19)24-27-9-10-29(24)2/h5-12,15H,3-4,13H2,1-2H3,(H,28,30)
InChIKeyFDLBONYVLJRTIL-UHFFFAOYSA-N
XLogP6.15
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide
CID 24901704
3-(3-fluoro-4-{[2-(1-methyl-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
CID 11713310
3-(4-{[2-(1-ethyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy}-3-fluorophenyl)-1-(2-phenylacetyl)thiourea
CID 24901705
3-(4-{[2-(1-ethyl-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy}-3-fluorophenyl)-1-(2-phenylacetyl)thiourea
CID 24901706
N-methyl-6-(2-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yloxy)benzo[b]thiophene-3-carboxamide
CID 52947268
4-[4-(3-Methyl-3H-imidazol-4-yl)-phenoxy]-thieno[2,3-c]pyridine-2-carboxylic acid methylamide
CID 10904579
N-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamoyl)-2-phenylacetamide
CID 44565118
N-methyl-4-[[3-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide
CID 138549830
N-methyl-4-[[3-methyl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide
CID 138549841
4-[[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 138549842
4-[[2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 142556488
(R)-3-(1-(4-((tert-butylamino)methyl)-2-cyclopropylphenyl)ethoxy)-5-(imidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 45268586

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide (CID 20767915) is N-(cyclopropylmethyl)-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide is Cc1sc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide?
The InChIKey is FDLBONYVLJRTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2S2/c1-14-22(25(30)28-13-15-3-4-15)17-6-5-16(11-20(17)32-14)31-19-7-8-26-18-12-21(33-23(18)19)24-27-9-10-29(24)2/h5-12,15H,3-4,13H2,1-2H3,(H,28,30).
What are the key properties of N-(cyclopropylmethyl)-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide?
N-(cyclopropylmethyl)-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 20767915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).