N-cyclopropyl-5-[2-(3,4-dimethoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide

C27H28N4O5S — CID 20746099

IUPACN-cyclopropyl-5-[2-(3,4-dimethoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide
SMILESCOC1CN(C(=O)c2cc3nccc(Oc4ccc5c(c4)cc(C)n5C(=O)NC4CC4)c3s2)CC1OC
InChIInChI=1S/C27H28N4O5S/c1-15-10-16-11-18(6-7-20(16)31(15)27(33)29-17-4-5-17)36-21-8-9-28-19-12-24(37-25(19)21)26(32)30-13-22(34-2)23(14-30)35-3/h6-12,17,22-23H,4-5,13-14H2,1-3H3,(H,29,33)
InChIKeyXRSVYCMIESHJOJ-UHFFFAOYSA-N
MW520.61 g/mol
LogP4.56
Rot. Bonds6

About N-cyclopropyl-5-[2-(3,4-dimethoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide

N-cyclopropyl-5-[2-(3,4-dimethoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide (PubChem CID 20746099) has the molecular formula C27H28N4O5S and a molecular weight of 520.61 g/mol. Its IUPAC name is N-cyclopropyl-5-[2-(3,4-dimethoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[2-(3,4-dimethoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide
PubChem CID20746099
Molecular FormulaC27H28N4O5S
Molecular Weight520.61 g/mol
Exact Mass520.18
IUPAC NameN-cyclopropyl-5-[2-(3,4-dimethoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide
SMILESCOC1CN(C(=O)c2cc3nccc(Oc4ccc5c(c4)cc(C)n5C(=O)NC4CC4)c3s2)CC1OC
InChIInChI=1S/C27H28N4O5S/c1-15-10-16-11-18(6-7-20(16)31(15)27(33)29-17-4-5-17)36-21-8-9-28-19-12-24(37-25(19)21)26(32)30-13-22(34-2)23(14-30)35-3/h6-12,17,22-23H,4-5,13-14H2,1-3H3,(H,29,33)
InChIKeyXRSVYCMIESHJOJ-UHFFFAOYSA-N
XLogP4.56
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.61
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-cyclopropyl-5-[2-(3,4-dimethoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-5-[2-(3,4-dihydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide
CID 20746097
5-[2-(3-hydroxy-4-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 20746035
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
N-(3-hydroxypropyl)-5-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide
CID 20746080
N-cyclopropyl-5-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide;N-(4-hydroxybut-2-ynyl)-5-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide;5-[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide;5-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-N-prop-2-ynylindole-1-carboxamide;5-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 158215569
[5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carbonyl]-prop-2-ynylazanium
CID 142802089
7-[1-(cyanomethylcarbamoyl)-2-methylindol-5-yl]oxy-N-ethyl-N-propylthieno[3,2-b]pyridine-2-carboxamide
CID 142802145
4-fluoro-5-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 20746006
N-cyclopropyl-6-[2-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxynaphthalene-1-carboxamide
CID 11237366
6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide
CID 10050758
5-(2-formylthieno[3,2-b]pyridin-7-yl)oxy-N-hex-2-ynyl-2-methylindole-1-carboxamide;methanol;1-methylpyrrolidine
CID 142802070

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[2-(3,4-dimethoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide?
The IUPAC name of N-cyclopropyl-5-[2-(3,4-dimethoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide (CID 20746099) is N-cyclopropyl-5-[2-(3,4-dimethoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[2-(3,4-dimethoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[2-(3,4-dimethoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide is COC1CN(C(=O)c2cc3nccc(Oc4ccc5c(c4)cc(C)n5C(=O)NC4CC4)c3s2)CC1OC.
What is the InChIKey of N-cyclopropyl-5-[2-(3,4-dimethoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide?
The InChIKey is XRSVYCMIESHJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O5S/c1-15-10-16-11-18(6-7-20(16)31(15)27(33)29-17-4-5-17)36-21-8-9-28-19-12-24(37-25(19)21)26(32)30-13-22(34-2)23(14-30)35-3/h6-12,17,22-23H,4-5,13-14H2,1-3H3,(H,29,33).
What are the key properties of N-cyclopropyl-5-[2-(3,4-dimethoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide?
N-cyclopropyl-5-[2-(3,4-dimethoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide has a molecular weight of 520.61 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[2-(3,4-dimethoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide is sourced from PubChem (CID 20746099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).