N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

C26H25FN4O2 — CID 24682349

IUPACN-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCc1c(C#N)c(NC(=O)CN2CC=C(c3ccc(O)cc3)CC2)n(-c2cccc(F)c2)c1C
InChIInChI=1S/C26H25FN4O2/c1-17-18(2)31(22-5-3-4-21(27)14-22)26(24(17)15-28)29-25(33)16-30-12-10-20(11-13-30)19-6-8-23(32)9-7-19/h3-10,14,32H,11-13,16H2,1-2H3,(H,29,33)
InChIKeySFXZHDQJRUVVJO-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.54
Rot. Bonds5

About N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (PubChem CID 24682349) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
PubChem CID24682349
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC NameN-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCc1c(C#N)c(NC(=O)CN2CC=C(c3ccc(O)cc3)CC2)n(-c2cccc(F)c2)c1C
InChIInChI=1S/C26H25FN4O2/c1-17-18(2)31(22-5-3-4-21(27)14-22)26(24(17)15-28)29-25(33)16-30-12-10-20(11-13-30)19-6-8-23(32)9-7-19/h3-10,14,32H,11-13,16H2,1-2H3,(H,29,33)
InChIKeySFXZHDQJRUVVJO-UHFFFAOYSA-N
XLogP4.54
TPSA81.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide 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-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]-N'-(4-fluorophenyl)urea
CID 4254577
N-[2-(dimethylamino)ethyl]-6-(3-fluoro-4-hydroxyphenyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide
CID 134805765
N-{3-[2-Amino-3-cyano-6-(2-hydroxy-phenyl)-pyridin-4-yl]-phenyl}-2-piperidin-1-yl-acetamide
CID 136094917
N-{3-[2-Acetylamino-3-cyano-6-(2-hydroxy-phenyl)-pyridin-4-yl]-phenyl}-3-piperidin-1-yl-propionamide; hydrochloride
CID 136094921
(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[2,2-bis(2-fluoro-4-hydroxyphenyl)ethylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
CID 20678744
2-amino-1-[3-(4-fluoroanilino)-2-(4-fluoro-2-hydroxyphenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 123313587
(2S)-2-amino-N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-4-fluorophenyl]-4-methylpentanamide
CID 136119423
(2S)-2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 154666927
(2R)-2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 154667001
2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 155040657
N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-2-(2,5-dihydropyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 162339784
N-[4-[3-(2-cyano-6-piperazin-1-yl-4-pyridinyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
CID 166166636

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The IUPAC name of N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (CID 24682349) is N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.
What is the SMILES notation for N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The canonical SMILES for N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is Cc1c(C#N)c(NC(=O)CN2CC=C(c3ccc(O)cc3)CC2)n(-c2cccc(F)c2)c1C.
What is the InChIKey of N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The InChIKey is SFXZHDQJRUVVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c1-17-18(2)31(22-5-3-4-21(27)14-22)26(24(17)15-28)29-25(33)16-30-12-10-20(11-13-30)19-6-8-23(32)9-7-19/h3-10,14,32H,11-13,16H2,1-2H3,(H,29,33).
What are the key properties of N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide has a molecular weight of 444.51 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is sourced from PubChem (CID 24682349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).