5-cyano-3-[4-[6-cyano-2-[(4,4-dimethyl-1,5-dihydroimidazol-2-yl)carbamoyl]-3-hydroxyphenyl]-2-fluoro-5-methoxyphenyl]-N-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-6-(4-methoxy-3-pyridinyl)benzamide

C37H32FN9O6 — CID 166768397

IUPAC5-cyano-3-[4-[6-cyano-2-[(4,4-dimethyl-1,5-dihydroimidazol-2-yl)carbamoyl]-3-hydroxyphenyl]-2-fluoro-5-methoxyphenyl]-N-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-6-(4-methoxy-3-pyridinyl)benzamide
SMILESCOc1cc(-c2cc(C#N)c(-c3cnccc3OC)c(C(=O)NC3=NCCN3)c2O)c(F)cc1-c1c(C#N)ccc(O)c1C(=O)NC1=NC(C)(C)CN1
InChIInChI=1S/C37H32FN9O6/c1-37(2)17-44-36(47-37)46-33(50)30-25(48)6-5-18(14-39)28(30)22-12-24(38)20(13-27(22)53-4)21-11-19(15-40)29(23-16-41-8-7-26(23)52-3)31(32(21)49)34(51)45-35-42-9-10-43-35/h5-8,11-13,16,48-49H,9-10,17H2,1-4H3,(H2,42,43,45,51)(H2,44,46,47,50)
InChIKeyJPGRTLYWQMTMHP-UHFFFAOYSA-N
MW717.72 g/mol
LogP3.55
Rot. Bonds7

About 5-cyano-3-[4-[6-cyano-2-[(4,4-dimethyl-1,5-dihydroimidazol-2-yl)carbamoyl]-3-hydroxyphenyl]-2-fluoro-5-methoxyphenyl]-N-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-6-(4-methoxy-3-pyridinyl)benzamide

5-cyano-3-[4-[6-cyano-2-[(4,4-dimethyl-1,5-dihydroimidazol-2-yl)carbamoyl]-3-hydroxyphenyl]-2-fluoro-5-methoxyphenyl]-N-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-6-(4-methoxy-3-pyridinyl)benzamide (PubChem CID 166768397) has the molecular formula C37H32FN9O6 and a molecular weight of 717.72 g/mol. Its IUPAC name is 5-cyano-3-[4-[6-cyano-2-[(4,4-dimethyl-1,5-dihydroimidazol-2-yl)carbamoyl]-3-hydroxyphenyl]-2-fluoro-5-methoxyphenyl]-N-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-6-(4-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name5-cyano-3-[4-[6-cyano-2-[(4,4-dimethyl-1,5-dihydroimidazol-2-yl)carbamoyl]-3-hydroxyphenyl]-2-fluoro-5-methoxyphenyl]-N-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-6-(4-methoxy-3-pyridinyl)benzamide
PubChem CID166768397
Molecular FormulaC37H32FN9O6
Molecular Weight717.72 g/mol
Exact Mass717.25
IUPAC Name5-cyano-3-[4-[6-cyano-2-[(4,4-dimethyl-1,5-dihydroimidazol-2-yl)carbamoyl]-3-hydroxyphenyl]-2-fluoro-5-methoxyphenyl]-N-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-6-(4-methoxy-3-pyridinyl)benzamide
SMILESCOc1cc(-c2cc(C#N)c(-c3cnccc3OC)c(C(=O)NC3=NCCN3)c2O)c(F)cc1-c1c(C#N)ccc(O)c1C(=O)NC1=NC(C)(C)CN1
InChIInChI=1S/C37H32FN9O6/c1-37(2)17-44-36(47-37)46-33(50)30-25(48)6-5-18(14-39)28(30)22-12-24(38)20(13-27(22)53-4)21-11-19(15-40)29(23-16-41-8-7-26(23)52-3)31(32(21)49)34(51)45-35-42-9-10-43-35/h5-8,11-13,16,48-49H,9-10,17H2,1-4H3,(H2,42,43,45,51)(H2,44,46,47,50)
InChIKeyJPGRTLYWQMTMHP-UHFFFAOYSA-N
XLogP3.55
TPSA226.37 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500717.72
LogP ≤ 53.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze 5-cyano-3-[4-[6-cyano-2-[(4,4-dimethyl-1,5-dihydroimidazol-2-yl)carbamoyl]-3-hydroxyphenyl]-2-fluoro-5-methoxyphenyl]-N-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-6-(4-methoxy-3-pyridinyl)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

3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-5-methoxy-4-pyridinyl)-6-hydroxybenzamide
CID 146507996
2-(2-chloro-3-methoxyphenyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide
CID 146507961
3-cyano-2-(5-fluoro-2-methoxyphenyl)-6-hydroxy-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide
CID 146508212
2-(2-chloro-4-pyridinyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide
CID 146507997
2-(5-chloro-3-pyridinyl)-3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-6-hydroxybenzamide
CID 146508127
N-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-6-hydroxy-3-isocyano-2-(3-methoxy-4-pyridinyl)benzamide
CID 160836212
N-(3-fluoro-4-hydroxyphenyl)-3-methoxypyridine-4-carboxamide
CID 105063689
N-(2-cyano-6-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 107467316
N-(5-cyano-2-pyridinyl)-3-methoxypyridine-4-carboxamide
CID 105063451
N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide
CID 103874413
N-(5-cyano-2-methylphenyl)-3-methoxypyridine-4-carboxamide
CID 105063446
3-cyano-N-(diaminomethylidene)-2-(3-fluoro-2-methoxyphenyl)-6-hydroxybenzamide
CID 146508148

Frequently Asked Questions

What is the IUPAC name of 5-cyano-3-[4-[6-cyano-2-[(4,4-dimethyl-1,5-dihydroimidazol-2-yl)carbamoyl]-3-hydroxyphenyl]-2-fluoro-5-methoxyphenyl]-N-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-6-(4-methoxy-3-pyridinyl)benzamide?
The IUPAC name of 5-cyano-3-[4-[6-cyano-2-[(4,4-dimethyl-1,5-dihydroimidazol-2-yl)carbamoyl]-3-hydroxyphenyl]-2-fluoro-5-methoxyphenyl]-N-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-6-(4-methoxy-3-pyridinyl)benzamide (CID 166768397) is 5-cyano-3-[4-[6-cyano-2-[(4,4-dimethyl-1,5-dihydroimidazol-2-yl)carbamoyl]-3-hydroxyphenyl]-2-fluoro-5-methoxyphenyl]-N-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-6-(4-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 5-cyano-3-[4-[6-cyano-2-[(4,4-dimethyl-1,5-dihydroimidazol-2-yl)carbamoyl]-3-hydroxyphenyl]-2-fluoro-5-methoxyphenyl]-N-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-6-(4-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for 5-cyano-3-[4-[6-cyano-2-[(4,4-dimethyl-1,5-dihydroimidazol-2-yl)carbamoyl]-3-hydroxyphenyl]-2-fluoro-5-methoxyphenyl]-N-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-6-(4-methoxy-3-pyridinyl)benzamide is COc1cc(-c2cc(C#N)c(-c3cnccc3OC)c(C(=O)NC3=NCCN3)c2O)c(F)cc1-c1c(C#N)ccc(O)c1C(=O)NC1=NC(C)(C)CN1.
What is the InChIKey of 5-cyano-3-[4-[6-cyano-2-[(4,4-dimethyl-1,5-dihydroimidazol-2-yl)carbamoyl]-3-hydroxyphenyl]-2-fluoro-5-methoxyphenyl]-N-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-6-(4-methoxy-3-pyridinyl)benzamide?
The InChIKey is JPGRTLYWQMTMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32FN9O6/c1-37(2)17-44-36(47-37)46-33(50)30-25(48)6-5-18(14-39)28(30)22-12-24(38)20(13-27(22)53-4)21-11-19(15-40)29(23-16-41-8-7-26(23)52-3)31(32(21)49)34(51)45-35-42-9-10-43-35/h5-8,11-13,16,48-49H,9-10,17H2,1-4H3,(H2,42,43,45,51)(H2,44,46,47,50).
What are the key properties of 5-cyano-3-[4-[6-cyano-2-[(4,4-dimethyl-1,5-dihydroimidazol-2-yl)carbamoyl]-3-hydroxyphenyl]-2-fluoro-5-methoxyphenyl]-N-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-6-(4-methoxy-3-pyridinyl)benzamide?
5-cyano-3-[4-[6-cyano-2-[(4,4-dimethyl-1,5-dihydroimidazol-2-yl)carbamoyl]-3-hydroxyphenyl]-2-fluoro-5-methoxyphenyl]-N-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-6-(4-methoxy-3-pyridinyl)benzamide has a molecular weight of 717.72 g/mol, XLogP of 3.55, 7 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-3-[4-[6-cyano-2-[(4,4-dimethyl-1,5-dihydroimidazol-2-yl)carbamoyl]-3-hydroxyphenyl]-2-fluoro-5-methoxyphenyl]-N-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-6-(4-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 166768397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).