7-[(2-methyl-1H-indol-5-yl)amino]-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-2-carboxamide

C23H19N5OS — CID 91246821

IUPAC7-[(2-methyl-1H-indol-5-yl)amino]-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-2-carboxamide
SMILESCc1cc2cc(Nc3ccnc4cc(C(=O)NCc5ccncc5)sc34)ccc2[nH]1
InChIInChI=1S/C23H19N5OS/c1-14-10-16-11-17(2-3-18(16)27-14)28-19-6-9-25-20-12-21(30-22(19)20)23(29)26-13-15-4-7-24-8-5-15/h2-12,27H,13H2,1H3,(H,25,28)(H,26,29)
InChIKeyHOPYJMPOACZZDT-UHFFFAOYSA-N
MW413.51 g/mol
LogP5.15
Rot. Bonds5

About 7-[(2-methyl-1H-indol-5-yl)amino]-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-2-carboxamide

7-[(2-methyl-1H-indol-5-yl)amino]-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 91246821) has the molecular formula C23H19N5OS and a molecular weight of 413.51 g/mol. Its IUPAC name is 7-[(2-methyl-1H-indol-5-yl)amino]-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-[(2-methyl-1H-indol-5-yl)amino]-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-2-carboxamide
PubChem CID91246821
Molecular FormulaC23H19N5OS
Molecular Weight413.51 g/mol
Exact Mass413.13
IUPAC Name7-[(2-methyl-1H-indol-5-yl)amino]-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-2-carboxamide
SMILESCc1cc2cc(Nc3ccnc4cc(C(=O)NCc5ccncc5)sc34)ccc2[nH]1
InChIInChI=1S/C23H19N5OS/c1-14-10-16-11-17(2-3-18(16)27-14)28-19-6-9-25-20-12-21(30-22(19)20)23(29)26-13-15-4-7-24-8-5-15/h2-12,27H,13H2,1H3,(H,25,28)(H,26,29)
InChIKeyHOPYJMPOACZZDT-UHFFFAOYSA-N
XLogP5.15
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.51
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-methyl-1H-indol-5-yl)amino]-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 7-[(2-methyl-1H-indol-5-yl)amino]-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-2-carboxamide (CID 91246821) is 7-[(2-methyl-1H-indol-5-yl)amino]-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 7-[(2-methyl-1H-indol-5-yl)amino]-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 7-[(2-methyl-1H-indol-5-yl)amino]-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-2-carboxamide is Cc1cc2cc(Nc3ccnc4cc(C(=O)NCc5ccncc5)sc34)ccc2[nH]1.
What is the InChIKey of 7-[(2-methyl-1H-indol-5-yl)amino]-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is HOPYJMPOACZZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5OS/c1-14-10-16-11-17(2-3-18(16)27-14)28-19-6-9-25-20-12-21(30-22(19)20)23(29)26-13-15-4-7-24-8-5-15/h2-12,27H,13H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 7-[(2-methyl-1H-indol-5-yl)amino]-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-2-carboxamide?
7-[(2-methyl-1H-indol-5-yl)amino]-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 413.51 g/mol, XLogP of 5.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methyl-1H-indol-5-yl)amino]-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 91246821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).