6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide

C25H26N4O4S — CID 10412784

IUPAC6-[2-[2-(hydroxymethyl)pyrrolidine-1-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)N5CCCC5CO)sc34)ccc12
InChIInChI=1S/C25H26N4O4S/c1-14-22(24(31)26-2)17-7-6-16(11-19(17)28(14)3)33-20-8-9-27-18-12-21(34-23(18)20)25(32)29-10-4-5-15(29)13-30/h6-9,11-12,15,30H,4-5,10,13H2,1-3H3,(H,26,31)
InChIKeyXACOPEGPFNDTFU-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.85
Rot. Bonds5

About 6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide

6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide (PubChem CID 10412784) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is 6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide.

Molecular Properties

Compound Name6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide
PubChem CID10412784
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC Name6-[2-[2-(hydroxymethyl)pyrrolidine-1-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)N5CCCC5CO)sc34)ccc12
InChIInChI=1S/C25H26N4O4S/c1-14-22(24(31)26-2)17-7-6-16(11-19(17)28(14)3)33-20-8-9-27-18-12-21(34-23(18)20)25(32)29-10-4-5-15(29)13-30/h6-9,11-12,15,30H,4-5,10,13H2,1-3H3,(H,26,31)
InChIKeyXACOPEGPFNDTFU-UHFFFAOYSA-N
XLogP3.85
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide with MolForge

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Related Compounds

6-Benzyloxy-3-((R)-2-pyridin-3-yl-thiazolidine-4-carbonyl)-indole-1-carboxylic acid tert-butyl ester
CID 11756259
6-(2-methoxyethoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
CID 10004106
N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)indole-3-carboxamide
CID 59762293
N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)-6-(1,3-thiazol-2-yloxy)indole-3-carboxamide
CID 59762381
N-(3-hydroxypropyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
CID 86290368
N-(2-hydroxyethyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
CID 86290369
5-[[2-[[5-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]thiophene-2-carbonyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide
CID 90348978
5-[[2-[[5-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]thiophene-2-carbonyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide
CID 90348979
5-[[2-[[5-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]thiophene-2-carbonyl]amino]-4-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide
CID 90349020
5-[[2-[[5-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]thiophene-2-carbonyl]amino]-4-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide
CID 90349029
5-[[2-[[5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]thiophene-2-carbonyl]amino]-4-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide
CID 90349030
6-(2-ethoxyethoxy)-5-[[2-[[5-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]thiophene-2-carbonyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 90349059

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide?
The IUPAC name of 6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide (CID 10412784) is 6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide.
What is the SMILES notation for 6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide?
The canonical SMILES for 6-[2-[2-(hydroxymethyl)pyrrolidine-1-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)N5CCCC5CO)sc34)ccc12.
What is the InChIKey of 6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide?
The InChIKey is XACOPEGPFNDTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-14-22(24(31)26-2)17-7-6-16(11-19(17)28(14)3)33-20-8-9-27-18-12-21(34-23(18)20)25(32)29-10-4-5-15(29)13-30/h6-9,11-12,15,30H,4-5,10,13H2,1-3H3,(H,26,31).
What are the key properties of 6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide?
6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide is sourced from PubChem (CID 10412784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).