2-chloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-[(2,4,5-trimethoxybenzoyl)amino]benzamide

C24H20ClFN4O5 — CID 24811698

IUPAC2-chloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-[(2,4,5-trimethoxybenzoyl)amino]benzamide
SMILESCOc1cc(OC)c(C(=O)Nc2cc(C(=O)Nc3cnc4[nH]ccc4c3)c(Cl)cc2F)cc1OC
InChIInChI=1S/C24H20ClFN4O5/c1-33-19-10-21(35-3)20(34-2)8-15(19)24(32)30-18-7-14(16(25)9-17(18)26)23(31)29-13-6-12-4-5-27-22(12)28-11-13/h4-11H,1-3H3,(H,27,28)(H,29,31)(H,30,32)
InChIKeyOWIWFNVTTKTXBB-UHFFFAOYSA-N
MW498.90 g/mol
LogP4.89
Rot. Bonds7

About 2-chloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-[(2,4,5-trimethoxybenzoyl)amino]benzamide

2-chloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-[(2,4,5-trimethoxybenzoyl)amino]benzamide (PubChem CID 24811698) has the molecular formula C24H20ClFN4O5 and a molecular weight of 498.90 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-[(2,4,5-trimethoxybenzoyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-[(2,4,5-trimethoxybenzoyl)amino]benzamide
PubChem CID24811698
Molecular FormulaC24H20ClFN4O5
Molecular Weight498.90 g/mol
Exact Mass498.11
IUPAC Name2-chloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-[(2,4,5-trimethoxybenzoyl)amino]benzamide
SMILESCOc1cc(OC)c(C(=O)Nc2cc(C(=O)Nc3cnc4[nH]ccc4c3)c(Cl)cc2F)cc1OC
InChIInChI=1S/C24H20ClFN4O5/c1-33-19-10-21(35-3)20(34-2)8-15(19)24(32)30-18-7-14(16(25)9-17(18)26)23(31)29-13-6-12-4-5-27-22(12)28-11-13/h4-11H,1-3H3,(H,27,28)(H,29,31)(H,30,32)
InChIKeyOWIWFNVTTKTXBB-UHFFFAOYSA-N
XLogP4.89
TPSA114.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.90
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-chloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-[(2,4,5-trimethoxybenzoyl)amino]benzamide 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

2-chloro-4-fluoro-5-[3-(2-methoxyphenyl)prop-2-enoylamino]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 67007164
2,6-dichloro-3,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 25122284
N-[4-chloro-2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)phenyl]-3-(2-chlorophenyl)-1,2-oxazole-5-carboxamide
CID 24811803
2-chloro-5-[(2,4-difluorobenzoyl)-(difluoromethyl)amino]-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 24811799
3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 89151606
2,4,5-trimethoxy-N-quinolin-3-ylbenzamide
CID 18146468
N-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide
CID 1020033
2,4-bis(phenylmethoxy)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 135336963
N-(2-fluoro-5-methylphenyl)-2,4,5-trimethoxybenzamide
CID 26881977
N-(2-chlorophenyl)-2,4,5-trimethoxybenzamide
CID 912702
4-tert-butyl-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 70931081
N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 2200296

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-[(2,4,5-trimethoxybenzoyl)amino]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-[(2,4,5-trimethoxybenzoyl)amino]benzamide (CID 24811698) is 2-chloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-[(2,4,5-trimethoxybenzoyl)amino]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-[(2,4,5-trimethoxybenzoyl)amino]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-[(2,4,5-trimethoxybenzoyl)amino]benzamide is COc1cc(OC)c(C(=O)Nc2cc(C(=O)Nc3cnc4[nH]ccc4c3)c(Cl)cc2F)cc1OC.
What is the InChIKey of 2-chloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-[(2,4,5-trimethoxybenzoyl)amino]benzamide?
The InChIKey is OWIWFNVTTKTXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O5/c1-33-19-10-21(35-3)20(34-2)8-15(19)24(32)30-18-7-14(16(25)9-17(18)26)23(31)29-13-6-12-4-5-27-22(12)28-11-13/h4-11H,1-3H3,(H,27,28)(H,29,31)(H,30,32).
What are the key properties of 2-chloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-[(2,4,5-trimethoxybenzoyl)amino]benzamide?
2-chloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-[(2,4,5-trimethoxybenzoyl)amino]benzamide has a molecular weight of 498.90 g/mol, XLogP of 4.89, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-[(2,4,5-trimethoxybenzoyl)amino]benzamide is sourced from PubChem (CID 24811698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).