N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide

C61H54FN11O3S3 — CID 158502049

IUPACN-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCC(C)n1ccc2c(C(=O)Nc3ccc(F)cc3)cc(-c3cccs3)nc21.CC(C)n1ccc2c(C(=O)Nc3ccccn3)cc(-c3cccs3)nc21.CC(C)n1ccc2c(C(=O)Nc3cccnc3)cc(-c3cccs3)nc21
InChIInChI=1S/C21H18FN3OS.2C20H18N4OS/c1-13(2)25-10-9-16-17(21(26)23-15-7-5-14(22)6-8-15)12-18(24-20(16)25)19-4-3-11-27-19;1-13(2)24-9-7-15-16(20(25)22-14-5-3-8-21-12-14)11-17(23-19(15)24)18-6-4-10-26-18;1-13(2)24-10-8-14-15(20(25)23-18-7-3-4-9-21-18)12-16(22-19(14)24)17-6-5-11-26-17/h3-13H,1-2H3,(H,23,26);3-13H,1-2H3,(H,22,25);3-13H,1-2H3,(H,21,23,25)
InChIKeyHJZXQDONJUQNGX-UHFFFAOYSA-N
MW1104.38 g/mol
LogP15.72
Rot. Bonds12

About N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide

N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 158502049) has the molecular formula C61H54FN11O3S3 and a molecular weight of 1104.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide
PubChem CID158502049
Molecular FormulaC61H54FN11O3S3
Molecular Weight1104.38 g/mol
Exact Mass1103.36
IUPAC NameN-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCC(C)n1ccc2c(C(=O)Nc3ccc(F)cc3)cc(-c3cccs3)nc21.CC(C)n1ccc2c(C(=O)Nc3ccccn3)cc(-c3cccs3)nc21.CC(C)n1ccc2c(C(=O)Nc3cccnc3)cc(-c3cccs3)nc21
InChIInChI=1S/C21H18FN3OS.2C20H18N4OS/c1-13(2)25-10-9-16-17(21(26)23-15-7-5-14(22)6-8-15)12-18(24-20(16)25)19-4-3-11-27-19;1-13(2)24-9-7-15-16(20(25)22-14-5-3-8-21-12-14)11-17(23-19(15)24)18-6-4-10-26-18;1-13(2)24-10-8-14-15(20(25)23-18-7-3-4-9-21-18)12-16(22-19(14)24)17-6-5-11-26-17/h3-13H,1-2H3,(H,23,26);3-13H,1-2H3,(H,22,25);3-13H,1-2H3,(H,21,23,25)
InChIKeyHJZXQDONJUQNGX-UHFFFAOYSA-N
XLogP15.72
TPSA166.54 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001104.38
LogP ≤ 515.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-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

1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide
CID 137638641
1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide
CID 137650463
N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide
CID 137652953
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]thieno[3,2-c]pyridine-6-carboxamide
CID 90683863
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]thieno[3,2-b]pyridine-6-carboxamide
CID 90683873
US11685744, Example 81
CID 168474664
1-propan-2-yl-N-pyridin-4-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide
CID 137650333
4-[8-[3-Fluoro-4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide
CID 24987408
N-[3-[3-[2-[3-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide
CID 67160540
5-ethyl-N-[2-fluoro-5-[8-[4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-4-propan-2-ylthiophene-2-carboxamide
CID 70953302
N-[3-[3-[2-[3-[2-(3-fluoropyrrolidin-1-yl)ethyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide
CID 77234215
N-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyridine-4-carboxamide
CID 134539695

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide (CID 158502049) is N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide is CC(C)n1ccc2c(C(=O)Nc3ccc(F)cc3)cc(-c3cccs3)nc21.CC(C)n1ccc2c(C(=O)Nc3ccccn3)cc(-c3cccs3)nc21.CC(C)n1ccc2c(C(=O)Nc3cccnc3)cc(-c3cccs3)nc21.
What is the InChIKey of N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide?
The InChIKey is HJZXQDONJUQNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3OS.2C20H18N4OS/c1-13(2)25-10-9-16-17(21(26)23-15-7-5-14(22)6-8-15)12-18(24-20(16)25)19-4-3-11-27-19;1-13(2)24-9-7-15-16(20(25)22-14-5-3-8-21-12-14)11-17(23-19(15)24)18-6-4-10-26-18;1-13(2)24-10-8-14-15(20(25)23-18-7-3-4-9-21-18)12-16(22-19(14)24)17-6-5-11-26-17/h3-13H,1-2H3,(H,23,26);3-13H,1-2H3,(H,22,25);3-13H,1-2H3,(H,21,23,25).
What are the key properties of N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide?
N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 1104.38 g/mol, XLogP of 15.72, 12 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 158502049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).