6-chloro-N-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluoro-3-[(4-methylphenyl)methoxy]benzamide

C24H20ClFN4O2 — CID 51002546

IUPAC6-chloro-N-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluoro-3-[(4-methylphenyl)methoxy]benzamide
SMILESCc1ccc(COc2ccc(Cl)c(C(=O)Nc3cnc4n[nH]c(C5CC5)c4c3)c2F)cc1
InChIInChI=1S/C24H20ClFN4O2/c1-13-2-4-14(5-3-13)12-32-19-9-8-18(25)20(21(19)26)24(31)28-16-10-17-22(15-6-7-15)29-30-23(17)27-11-16/h2-5,8-11,15H,6-7,12H2,1H3,(H,28,31)(H,27,29,30)
InChIKeyCWAWKVYQIZSMLZ-UHFFFAOYSA-N
MW450.90 g/mol
LogP5.77
Rot. Bonds6

About 6-chloro-N-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluoro-3-[(4-methylphenyl)methoxy]benzamide

6-chloro-N-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluoro-3-[(4-methylphenyl)methoxy]benzamide (PubChem CID 51002546) has the molecular formula C24H20ClFN4O2 and a molecular weight of 450.90 g/mol. Its IUPAC name is 6-chloro-N-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluoro-3-[(4-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound Name6-chloro-N-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluoro-3-[(4-methylphenyl)methoxy]benzamide
PubChem CID51002546
Molecular FormulaC24H20ClFN4O2
Molecular Weight450.90 g/mol
Exact Mass450.13
IUPAC Name6-chloro-N-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluoro-3-[(4-methylphenyl)methoxy]benzamide
SMILESCc1ccc(COc2ccc(Cl)c(C(=O)Nc3cnc4n[nH]c(C5CC5)c4c3)c2F)cc1
InChIInChI=1S/C24H20ClFN4O2/c1-13-2-4-14(5-3-13)12-32-19-9-8-18(25)20(21(19)26)24(31)28-16-10-17-22(15-6-7-15)29-30-23(17)27-11-16/h2-5,8-11,15H,6-7,12H2,1H3,(H,28,31)(H,27,29,30)
InChIKeyCWAWKVYQIZSMLZ-UHFFFAOYSA-N
XLogP5.77
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.90
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluoro-3-[(4-methylphenyl)methoxy]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

6-chloro-2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-phenylmethoxybenzamide
CID 51002333
6-chloro-N-(3-ethoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-phenylmethoxybenzamide
CID 51002335
6-chloro-2-fluoro-3-[(3-fluorophenyl)methoxy]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 51002454
1-[6-chloro-2-fluoro-3-[(6-methyl-3-pyridinyl)methoxy]phenyl]-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone
CID 148803015
2-[4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid
CID 24957188
1-[6-chloro-2-fluoro-3-[(2-fluorophenyl)methoxy]phenyl]-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone
CID 158959452
1-(2,6-dichloro-3-phenylmethoxyphenyl)-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone
CID 157347910
1-[3-[(4-chlorophenyl)methoxy]-2-fluoro-6-methylphenyl]-2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)ethanone
CID 158776686
N-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]pyridine-4-carboxamide
CID 156755436
3-chloro-N-(3,4-dichlorophenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide
CID 3447717
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
CID 19336064
2-chloro-6-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011791

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluoro-3-[(4-methylphenyl)methoxy]benzamide?
The IUPAC name of 6-chloro-N-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluoro-3-[(4-methylphenyl)methoxy]benzamide (CID 51002546) is 6-chloro-N-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluoro-3-[(4-methylphenyl)methoxy]benzamide.
What is the SMILES notation for 6-chloro-N-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluoro-3-[(4-methylphenyl)methoxy]benzamide?
The canonical SMILES for 6-chloro-N-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluoro-3-[(4-methylphenyl)methoxy]benzamide is Cc1ccc(COc2ccc(Cl)c(C(=O)Nc3cnc4n[nH]c(C5CC5)c4c3)c2F)cc1.
What is the InChIKey of 6-chloro-N-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluoro-3-[(4-methylphenyl)methoxy]benzamide?
The InChIKey is CWAWKVYQIZSMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O2/c1-13-2-4-14(5-3-13)12-32-19-9-8-18(25)20(21(19)26)24(31)28-16-10-17-22(15-6-7-15)29-30-23(17)27-11-16/h2-5,8-11,15H,6-7,12H2,1H3,(H,28,31)(H,27,29,30).
What are the key properties of 6-chloro-N-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluoro-3-[(4-methylphenyl)methoxy]benzamide?
6-chloro-N-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluoro-3-[(4-methylphenyl)methoxy]benzamide has a molecular weight of 450.90 g/mol, XLogP of 5.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-fluoro-3-[(4-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 51002546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).