1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-pyridin-2-ylindole-3-carboxamide

C27H22N6O2S — CID 20767774

IUPAC1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-pyridin-2-ylindole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccccn2)c2ccc(Oc3ccnc4cc(-c5nccn5C)sc34)cc2n1C
InChIInChI=1S/C27H22N6O2S/c1-16-24(27(34)31-23-6-4-5-10-29-23)18-8-7-17(14-20(18)33(16)3)35-21-9-11-28-19-15-22(36-25(19)21)26-30-12-13-32(26)2/h4-15H,1-3H3,(H,29,31,34)
InChIKeyFTNOIUIJKNUXSM-UHFFFAOYSA-N
MW494.58 g/mol
LogP5.94
Rot. Bonds5

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

1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-pyridin-2-ylindole-3-carboxamide (PubChem CID 20767774) has the molecular formula C27H22N6O2S and a molecular weight of 494.58 g/mol. Its IUPAC name is 1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-pyridin-2-ylindole-3-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-pyridin-2-ylindole-3-carboxamide
PubChem CID20767774
Molecular FormulaC27H22N6O2S
Molecular Weight494.58 g/mol
Exact Mass494.15
IUPAC Name1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-pyridin-2-ylindole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccccn2)c2ccc(Oc3ccnc4cc(-c5nccn5C)sc34)cc2n1C
InChIInChI=1S/C27H22N6O2S/c1-16-24(27(34)31-23-6-4-5-10-29-23)18-8-7-17(14-20(18)33(16)3)35-21-9-11-28-19-15-22(36-25(19)21)26-30-12-13-32(26)2/h4-15H,1-3H3,(H,29,31,34)
InChIKeyFTNOIUIJKNUXSM-UHFFFAOYSA-N
XLogP5.94
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.58
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-pyridin-2-ylindole-3-carboxamide?
The IUPAC name of 1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-pyridin-2-ylindole-3-carboxamide (CID 20767774) is 1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-pyridin-2-ylindole-3-carboxamide.
What is the SMILES notation for 1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-pyridin-2-ylindole-3-carboxamide?
The canonical SMILES for 1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-pyridin-2-ylindole-3-carboxamide is Cc1c(C(=O)Nc2ccccn2)c2ccc(Oc3ccnc4cc(-c5nccn5C)sc34)cc2n1C.
What is the InChIKey of 1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-pyridin-2-ylindole-3-carboxamide?
The InChIKey is FTNOIUIJKNUXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O2S/c1-16-24(27(34)31-23-6-4-5-10-29-23)18-8-7-17(14-20(18)33(16)3)35-21-9-11-28-19-15-22(36-25(19)21)26-30-12-13-32(26)2/h4-15H,1-3H3,(H,29,31,34).
What are the key properties of 1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-pyridin-2-ylindole-3-carboxamide?
1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-pyridin-2-ylindole-3-carboxamide has a molecular weight of 494.58 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-pyridin-2-ylindole-3-carboxamide is sourced from PubChem (CID 20767774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).