6-[2-[(2S)-2-hydroxy-4-azaspiro[2.4]heptane-4-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide

C26H26N4O4S — CID 142842042

IUPAC6-[2-[(2S)-2-hydroxy-4-azaspiro[2.4]heptane-4-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide
SMILESCNC(=O)c1c(C)n(C)c2cc(Oc3ccnc4cc(C(=O)N5CCCC56C[C@@H]6O)sc34)ccc12
InChIInChI=1S/C26H26N4O4S/c1-14-22(24(32)27-2)16-6-5-15(11-18(16)29(14)3)34-19-7-9-28-17-12-20(35-23(17)19)25(33)30-10-4-8-26(30)13-21(26)31/h5-7,9,11-12,21,31H,4,8,10,13H2,1-3H3,(H,27,32)/t21-,26?/m0/s1
InChIKeyCGLJFVBYYURBPX-GVNKFJBHSA-N
MW490.59 g/mol
LogP3.99
Rot. Bonds4

About 6-[2-[(2S)-2-hydroxy-4-azaspiro[2.4]heptane-4-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide

6-[2-[(2S)-2-hydroxy-4-azaspiro[2.4]heptane-4-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide (PubChem CID 142842042) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is 6-[2-[(2S)-2-hydroxy-4-azaspiro[2.4]heptane-4-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide.

Molecular Properties

Compound Name6-[2-[(2S)-2-hydroxy-4-azaspiro[2.4]heptane-4-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide
PubChem CID142842042
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC Name6-[2-[(2S)-2-hydroxy-4-azaspiro[2.4]heptane-4-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide
SMILESCNC(=O)c1c(C)n(C)c2cc(Oc3ccnc4cc(C(=O)N5CCCC56C[C@@H]6O)sc34)ccc12
InChIInChI=1S/C26H26N4O4S/c1-14-22(24(32)27-2)16-6-5-15(11-18(16)29(14)3)34-19-7-9-28-17-12-20(35-23(17)19)25(33)30-10-4-8-26(30)13-21(26)31/h5-7,9,11-12,21,31H,4,8,10,13H2,1-3H3,(H,27,32)/t21-,26?/m0/s1
InChIKeyCGLJFVBYYURBPX-GVNKFJBHSA-N
XLogP3.99
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[2-[(2S)-2-hydroxy-4-azaspiro[2.4]heptane-4-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide with MolForge

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Related Compounds

N,1,2-trimethyl-6-[2-(pyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
CID 20767885
6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide
CID 59990764
6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide
CID 10050758
N-(cyclopropylmethyl)-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethylindole-3-carboxamide
CID 59990795
1,2-dimethyl-N-(3-morpholin-4-ylpropyl)-6-(2-propanoylthieno[3,2-b]pyridin-7-yl)oxyindole-3-carboxamide
CID 20767777
N-(cyclopropylmethyl)-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
CID 22143598
1,2-dimethyl-6-(2-pyrimidin-2-ylthieno[3,2-b]pyridin-7-yl)oxyindole-3-carboxylic acid
CID 22143593
6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide
CID 10005904
N,2-dimethyl-6-[2-(2-methylpyrazol-3-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide
CID 10025936
5-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 20746036
5-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 10288344
(1-carbamoylcycloprop-2-en-1-yl) 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxylate
CID 90738790

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2S)-2-hydroxy-4-azaspiro[2.4]heptane-4-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide?
The IUPAC name of 6-[2-[(2S)-2-hydroxy-4-azaspiro[2.4]heptane-4-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide (CID 142842042) is 6-[2-[(2S)-2-hydroxy-4-azaspiro[2.4]heptane-4-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide.
What is the SMILES notation for 6-[2-[(2S)-2-hydroxy-4-azaspiro[2.4]heptane-4-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide?
The canonical SMILES for 6-[2-[(2S)-2-hydroxy-4-azaspiro[2.4]heptane-4-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide is CNC(=O)c1c(C)n(C)c2cc(Oc3ccnc4cc(C(=O)N5CCCC56C[C@@H]6O)sc34)ccc12.
What is the InChIKey of 6-[2-[(2S)-2-hydroxy-4-azaspiro[2.4]heptane-4-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide?
The InChIKey is CGLJFVBYYURBPX-GVNKFJBHSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-14-22(24(32)27-2)16-6-5-15(11-18(16)29(14)3)34-19-7-9-28-17-12-20(35-23(17)19)25(33)30-10-4-8-26(30)13-21(26)31/h5-7,9,11-12,21,31H,4,8,10,13H2,1-3H3,(H,27,32)/t21-,26?/m0/s1.
What are the key properties of 6-[2-[(2S)-2-hydroxy-4-azaspiro[2.4]heptane-4-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide?
6-[2-[(2S)-2-hydroxy-4-azaspiro[2.4]heptane-4-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide has a molecular weight of 490.59 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2S)-2-hydroxy-4-azaspiro[2.4]heptane-4-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide is sourced from PubChem (CID 142842042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).