N-cyclopropyl-N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide

C26H25N5O2S — CID 23572877

IUPACN-cyclopropyl-N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
SMILESCc1c(C(=O)N(C)C2CC2)c2ccc(Oc3ccnc4cc(-c5nccn5C)sc34)cc2n1C
InChIInChI=1S/C26H25N5O2S/c1-15-23(26(32)31(4)16-5-6-16)18-8-7-17(13-20(18)30(15)3)33-21-9-10-27-19-14-22(34-24(19)21)25-28-11-12-29(25)2/h7-14,16H,5-6H2,1-4H3
InChIKeyVCTRYKYEQOBACK-UHFFFAOYSA-N
MW471.59 g/mol
LogP5.52
Rot. Bonds5

About N-cyclopropyl-N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide

N-cyclopropyl-N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide (PubChem CID 23572877) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is N-cyclopropyl-N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
PubChem CID23572877
Molecular FormulaC26H25N5O2S
Molecular Weight471.59 g/mol
Exact Mass471.17
IUPAC NameN-cyclopropyl-N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
SMILESCc1c(C(=O)N(C)C2CC2)c2ccc(Oc3ccnc4cc(-c5nccn5C)sc34)cc2n1C
InChIInChI=1S/C26H25N5O2S/c1-15-23(26(32)31(4)16-5-6-16)18-8-7-17(13-20(18)30(15)3)33-21-9-10-27-19-14-22(34-24(19)21)25-28-11-12-29(25)2/h7-14,16H,5-6H2,1-4H3
InChIKeyVCTRYKYEQOBACK-UHFFFAOYSA-N
XLogP5.52
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.59
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-2-(trifluoromethyl)pyrrole-3-carboxamide
CID 122179285
N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1,5-diphenylpyrrole-3-carboxamide
CID 122186958
7-(2-Methoxy-3-pyridinyl)-2-[5-methyl-4-(2-methylimidazol-1-yl)-2-propan-2-yloxyanilino]thieno[3,2-d]pyrimidine-6-carboxamide
CID 89823733
3-[2-(4-Methoxyphenyl)-3H-imidazo[4,5-B]pyridin-3-YL]-1-(5-methylthiophene-2-carbonyl)pyrrolidine
CID 87050826
3-[2-(4-Methoxyphenyl)-3H-imidazo[4,5-B]pyridin-3-YL]-1-(thiophene-2-carbonyl)pyrrolidine
CID 87050825
AG-28262
CID 10025935
6-(4-fluorophenoxy)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
CID 18993190
6-(4-fluorophenoxy)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzoyl]indole-1-carboxamide
CID 18993243
1-Methyl-6-[2-(1-methyl-1H-imidazol-2-yl)-thieno[3,2-b]pyridin-7-yloxy]-2-trifluoromethyl-1H-indole-3-carboxylic acid methylamide
CID 20767887
1-Methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxylic acid
CID 22143567
N,1-dimethyl-6-[2-(4-methyl-4H-imidazol-5-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxamide
CID 23572875
N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide
CID 25054856

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
The IUPAC name of N-cyclopropyl-N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide (CID 23572877) is N-cyclopropyl-N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide is Cc1c(C(=O)N(C)C2CC2)c2ccc(Oc3ccnc4cc(-c5nccn5C)sc34)cc2n1C.
What is the InChIKey of N-cyclopropyl-N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
The InChIKey is VCTRYKYEQOBACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S/c1-15-23(26(32)31(4)16-5-6-16)18-8-7-17(13-20(18)30(15)3)33-21-9-10-27-19-14-22(34-24(19)21)25-28-11-12-29(25)2/h7-14,16H,5-6H2,1-4H3.
What are the key properties of N-cyclopropyl-N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
N-cyclopropyl-N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide has a molecular weight of 471.59 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide is sourced from PubChem (CID 23572877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).