5-[[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide

C23H23N5O3S — CID 20746038

IUPAC5-[[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide
SMILESCNC(=O)n1c(C)cc2cc(Nc3ccnc4cc(C(=O)N5CCC(O)C5)sc34)ccc21
InChIInChI=1S/C23H23N5O3S/c1-13-9-14-10-15(3-4-19(14)28(13)23(31)24-2)26-17-5-7-25-18-11-20(32-21(17)18)22(30)27-8-6-16(29)12-27/h3-5,7,9-11,16,29H,6,8,12H2,1-2H3,(H,24,31)(H,25,26)
InChIKeyFVPVGRMQGSFYGM-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.70
Rot. Bonds3

About 5-[[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide

5-[[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide (PubChem CID 20746038) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is 5-[[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide.

Molecular Properties

Compound Name5-[[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide
PubChem CID20746038
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC Name5-[[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide
SMILESCNC(=O)n1c(C)cc2cc(Nc3ccnc4cc(C(=O)N5CCC(O)C5)sc34)ccc21
InChIInChI=1S/C23H23N5O3S/c1-13-9-14-10-15(3-4-19(14)28(13)23(31)24-2)26-17-5-7-25-18-11-20(32-21(17)18)22(30)27-8-6-16(29)12-27/h3-5,7,9-11,16,29H,6,8,12H2,1-2H3,(H,24,31)(H,25,26)
InChIKeyFVPVGRMQGSFYGM-UHFFFAOYSA-N
XLogP3.70
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide?
The IUPAC name of 5-[[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide (CID 20746038) is 5-[[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide.
What is the SMILES notation for 5-[[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide?
The canonical SMILES for 5-[[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide is CNC(=O)n1c(C)cc2cc(Nc3ccnc4cc(C(=O)N5CCC(O)C5)sc34)ccc21.
What is the InChIKey of 5-[[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide?
The InChIKey is FVPVGRMQGSFYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-13-9-14-10-15(3-4-19(14)28(13)23(31)24-2)26-17-5-7-25-18-11-20(32-21(17)18)22(30)27-8-6-16(29)12-27/h3-5,7,9-11,16,29H,6,8,12H2,1-2H3,(H,24,31)(H,25,26).
What are the key properties of 5-[[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide?
5-[[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide has a molecular weight of 449.54 g/mol, XLogP of 3.70, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide is sourced from PubChem (CID 20746038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).