4-amino-N-methyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide;thieno[3,2-b]pyridine

C26H25N5O2S2 — CID 118435233

IUPAC4-amino-N-methyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide;thieno[3,2-b]pyridine
SMILESCNC(=O)c1cnc(N)c2cc(-c3ccc(N4CCOCC4)cc3)sc12.c1cnc2ccsc2c1
InChIInChI=1S/C19H20N4O2S.C7H5NS/c1-21-19(24)15-11-22-18(20)14-10-16(26-17(14)15)12-2-4-13(5-3-12)23-6-8-25-9-7-23;1-2-7-6(8-4-1)3-5-9-7/h2-5,10-11H,6-9H2,1H3,(H2,20,22)(H,21,24);1-5H
InChIKeyNZRQDCDOTCUQGC-UHFFFAOYSA-N
MW503.65 g/mol
LogP5.04
Rot. Bonds3

About 4-amino-N-methyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide;thieno[3,2-b]pyridine

4-amino-N-methyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide;thieno[3,2-b]pyridine (PubChem CID 118435233) has the molecular formula C26H25N5O2S2 and a molecular weight of 503.65 g/mol. Its IUPAC name is 4-amino-N-methyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide;thieno[3,2-b]pyridine.

Molecular Properties

Compound Name4-amino-N-methyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide;thieno[3,2-b]pyridine
PubChem CID118435233
Molecular FormulaC26H25N5O2S2
Molecular Weight503.65 g/mol
Exact Mass503.14
IUPAC Name4-amino-N-methyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide;thieno[3,2-b]pyridine
SMILESCNC(=O)c1cnc(N)c2cc(-c3ccc(N4CCOCC4)cc3)sc12.c1cnc2ccsc2c1
InChIInChI=1S/C19H20N4O2S.C7H5NS/c1-21-19(24)15-11-22-18(20)14-10-16(26-17(14)15)12-2-4-13(5-3-12)23-6-8-25-9-7-23;1-2-7-6(8-4-1)3-5-9-7/h2-5,10-11H,6-9H2,1H3,(H2,20,22)(H,21,24);1-5H
InChIKeyNZRQDCDOTCUQGC-UHFFFAOYSA-N
XLogP5.04
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.65
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide
CID 10475997
2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 82545859
4-amino-2-[4-(2-hydroxyethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide
CID 23585661
4-amino-2-[4-(methylsulfonylmethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide
CID 23585658
4-[4-(1,6-naphthyridin-7-yl)phenyl]morpholine
CID 91552475
ethane;[5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-2-ylmethanone
CID 142527683
methyl 4-[2-amino-5-(4-morpholin-4-ylphenyl)-3-pyridinyl]benzoate
CID 175443444
4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-N-methylbenzamide
CID 73057746
2-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]pyridine-3-carboxamide
CID 58398133
4-amino-2-[5-(2-methylsulfonylethyl)thiophen-3-yl]thieno[3,2-c]pyridine-7-carboxamide
CID 71199206
3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 134053278
3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]benzoic acid
CID 25109374

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide;thieno[3,2-b]pyridine?
The IUPAC name of 4-amino-N-methyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide;thieno[3,2-b]pyridine (CID 118435233) is 4-amino-N-methyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide;thieno[3,2-b]pyridine.
What is the SMILES notation for 4-amino-N-methyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide;thieno[3,2-b]pyridine?
The canonical SMILES for 4-amino-N-methyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide;thieno[3,2-b]pyridine is CNC(=O)c1cnc(N)c2cc(-c3ccc(N4CCOCC4)cc3)sc12.c1cnc2ccsc2c1.
What is the InChIKey of 4-amino-N-methyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide;thieno[3,2-b]pyridine?
The InChIKey is NZRQDCDOTCUQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S.C7H5NS/c1-21-19(24)15-11-22-18(20)14-10-16(26-17(14)15)12-2-4-13(5-3-12)23-6-8-25-9-7-23;1-2-7-6(8-4-1)3-5-9-7/h2-5,10-11H,6-9H2,1H3,(H2,20,22)(H,21,24);1-5H.
What are the key properties of 4-amino-N-methyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide;thieno[3,2-b]pyridine?
4-amino-N-methyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide;thieno[3,2-b]pyridine has a molecular weight of 503.65 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide;thieno[3,2-b]pyridine is sourced from PubChem (CID 118435233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).