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

C25H25N5O2S — CID 20767775

IUPAC1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propylindole-3-carboxamide
SMILESCCCNC(=O)c1c(C)n(C)c2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc12
InChIInChI=1S/C25H25N5O2S/c1-5-9-28-25(31)22-15(2)30(4)19-13-16(6-7-17(19)22)32-20-8-10-26-18-14-21(33-23(18)20)24-27-11-12-29(24)3/h6-8,10-14H,5,9H2,1-4H3,(H,28,31)
InChIKeyXTPQJPAHSJAEAP-UHFFFAOYSA-N
MW459.58 g/mol
LogP5.43
Rot. Bonds6

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

1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propylindole-3-carboxamide (PubChem CID 20767775) has the molecular formula C25H25N5O2S and a molecular weight of 459.58 g/mol. Its IUPAC name is 1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propylindole-3-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propylindole-3-carboxamide
PubChem CID20767775
Molecular FormulaC25H25N5O2S
Molecular Weight459.58 g/mol
Exact Mass459.17
IUPAC Name1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propylindole-3-carboxamide
SMILESCCCNC(=O)c1c(C)n(C)c2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc12
InChIInChI=1S/C25H25N5O2S/c1-5-9-28-25(31)22-15(2)30(4)19-13-16(6-7-17(19)22)32-20-8-10-26-18-14-21(33-23(18)20)24-27-11-12-29(24)3/h6-8,10-14H,5,9H2,1-4H3,(H,28,31)
InChIKeyXTPQJPAHSJAEAP-UHFFFAOYSA-N
XLogP5.43
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.58
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-propylindole-3-carboxamide?
The IUPAC name of 1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propylindole-3-carboxamide (CID 20767775) is 1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propylindole-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-propylindole-3-carboxamide?
The canonical SMILES for 1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propylindole-3-carboxamide is CCCNC(=O)c1c(C)n(C)c2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc12.
What is the InChIKey of 1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propylindole-3-carboxamide?
The InChIKey is XTPQJPAHSJAEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2S/c1-5-9-28-25(31)22-15(2)30(4)19-13-16(6-7-17(19)22)32-20-8-10-26-18-14-21(33-23(18)20)24-27-11-12-29(24)3/h6-8,10-14H,5,9H2,1-4H3,(H,28,31).
What are the key properties of 1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propylindole-3-carboxamide?
1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propylindole-3-carboxamide has a molecular weight of 459.58 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-propylindole-3-carboxamide is sourced from PubChem (CID 20767775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).