N-[2-chloro-4-[4-[2-(1,4-dimethylpyrrolidin-2-yl)-5-(hydroxymethyl)-1H-imidazol-4-yl]phenyl]-5-(trifluoromethoxy)phenyl]-6-[4-(3-hydroxy-2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carboxamide

C38H43ClF3N7O5 — CID 134568289

IUPACN-[2-chloro-4-[4-[2-(1,4-dimethylpyrrolidin-2-yl)-5-(hydroxymethyl)-1H-imidazol-4-yl]phenyl]-5-(trifluoromethoxy)phenyl]-6-[4-(3-hydroxy-2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCC1CC(c2nc(-c3ccc(-c4cc(Cl)c(NC(=O)c5ccc(N6CCN(C(=O)C(C)(C)CO)CC6)nc5)cc4OC(F)(F)F)cc3)c(CO)[nH]2)N(C)C1
InChIInChI=1S/C38H43ClF3N7O5/c1-22-15-30(47(4)19-22)34-44-29(20-50)33(46-34)24-7-5-23(6-8-24)26-16-27(39)28(17-31(26)54-38(40,41)42)45-35(52)25-9-10-32(43-18-25)48-11-13-49(14-12-48)36(53)37(2,3)21-51/h5-10,16-18,22,30,50-51H,11-15,19-21H2,1-4H3,(H,44,46)(H,45,52)
InChIKeyRXPGOWPCHGJNTL-UHFFFAOYSA-N
MW770.25 g/mol
LogP6.12
Rot. Bonds10

About N-[2-chloro-4-[4-[2-(1,4-dimethylpyrrolidin-2-yl)-5-(hydroxymethyl)-1H-imidazol-4-yl]phenyl]-5-(trifluoromethoxy)phenyl]-6-[4-(3-hydroxy-2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carboxamide

N-[2-chloro-4-[4-[2-(1,4-dimethylpyrrolidin-2-yl)-5-(hydroxymethyl)-1H-imidazol-4-yl]phenyl]-5-(trifluoromethoxy)phenyl]-6-[4-(3-hydroxy-2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 134568289) has the molecular formula C38H43ClF3N7O5 and a molecular weight of 770.25 g/mol. Its IUPAC name is N-[2-chloro-4-[4-[2-(1,4-dimethylpyrrolidin-2-yl)-5-(hydroxymethyl)-1H-imidazol-4-yl]phenyl]-5-(trifluoromethoxy)phenyl]-6-[4-(3-hydroxy-2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-[4-[2-(1,4-dimethylpyrrolidin-2-yl)-5-(hydroxymethyl)-1H-imidazol-4-yl]phenyl]-5-(trifluoromethoxy)phenyl]-6-[4-(3-hydroxy-2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID134568289
Molecular FormulaC38H43ClF3N7O5
Molecular Weight770.25 g/mol
Exact Mass769.30
IUPAC NameN-[2-chloro-4-[4-[2-(1,4-dimethylpyrrolidin-2-yl)-5-(hydroxymethyl)-1H-imidazol-4-yl]phenyl]-5-(trifluoromethoxy)phenyl]-6-[4-(3-hydroxy-2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCC1CC(c2nc(-c3ccc(-c4cc(Cl)c(NC(=O)c5ccc(N6CCN(C(=O)C(C)(C)CO)CC6)nc5)cc4OC(F)(F)F)cc3)c(CO)[nH]2)N(C)C1
InChIInChI=1S/C38H43ClF3N7O5/c1-22-15-30(47(4)19-22)34-44-29(20-50)33(46-34)24-7-5-23(6-8-24)26-16-27(39)28(17-31(26)54-38(40,41)42)45-35(52)25-9-10-32(43-18-25)48-11-13-49(14-12-48)36(53)37(2,3)21-51/h5-10,16-18,22,30,50-51H,11-15,19-21H2,1-4H3,(H,44,46)(H,45,52)
InChIKeyRXPGOWPCHGJNTL-UHFFFAOYSA-N
XLogP6.12
TPSA147.15 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.25
LogP ≤ 56.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[2-chloro-4-[4-[2-(1,4-dimethylpyrrolidin-2-yl)-5-(hydroxymethyl)-1H-imidazol-4-yl]phenyl]-5-(trifluoromethoxy)phenyl]-6-[4-(3-hydroxy-2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-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

N-[2-chloro-4-[4-[2-(1,4-dimethylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]-5-(trifluoromethoxy)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 134568179
methyl N-[2-[2-[4-[4-[5-chloro-4-[[6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-5-fluoro-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 134568095
N-[2-chloro-4-[4-[2-(4-methoxypyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]-5-(trifluoromethoxy)phenyl]-6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 134568271
methyl N-[1-[2-[5-[4-[5-chloro-4-[[6-[4-(2,2-dimethylpropanoyl)-2-methylpiperazin-1-yl]pyridine-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 78110316
tert-butyl 4-[5-[[2-chloro-4-[4-[2-[4-cyano-1-[2-(methoxycarbonylamino)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-5-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 134568178
methyl N-[2-[2-[5-[4-[5-chloro-4-[[6-[4-(2,2-dimethylpropanoyl)-2-methylpiperazin-1-yl]pyridine-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-1-(2,6-dimethyloxan-4-yl)-2-oxoethyl]carbamate
CID 123172714
[2-[(2S,4S)-2-[5-[4-[5-chloro-4-[[6-[(2R)-4-(2,2-dimethylpropanoyl)-2-methylpiperazin-1-yl]pyridine-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-1-[(2S,6S)-2,6-dimethyloxan-4-yl]-2-oxoethyl]carbamic acid
CID 134562009
methyl N-[(2S)-1-[(2S,4S)-2-[5-[4-[5-chloro-4-[[6-[(2R)-4-formyl-2-methylpiperazin-1-yl]pyridine-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 129190223
methyl N-[1-[2-[5-[4-[5-chloro-4-[[6-[2,5-dimethyl-4-(methylcarbamoyl)piperazin-1-yl]pyridine-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 78109252
N-[2-chloro-4-[4-[2-[1-[2-[[hydroxy(methoxy)methyl]amino]-3-methylbutanoyl]-4-methylpyrrolidin-2-yl]-3-methyl-4,5-dihydro-3H-azepin-6-yl]phenyl]-5-(trifluoromethoxy)phenyl]-6-[4-(2,2-dimethylpropanoyl)-2-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 123410191
methyl N-[(1S)-2-[(2S,4S)-2-[5-[4-[5-chloro-4-[[6-[(2R)-4-(2,2-dimethylpropanoyl)-2-methylpiperazin-1-yl]pyridine-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]-4-methoxypyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;dihydrochloride
CID 126483003
methyl N-[1-[2-[5-[4-[5-chloro-4-[[6-[4-(2,2-dimethylpropanoyl)-2-methylpiperazin-1-yl]pyridine-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]-4-methyl-2,5-dihydropyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 123704802

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[4-[2-(1,4-dimethylpyrrolidin-2-yl)-5-(hydroxymethyl)-1H-imidazol-4-yl]phenyl]-5-(trifluoromethoxy)phenyl]-6-[4-(3-hydroxy-2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-chloro-4-[4-[2-(1,4-dimethylpyrrolidin-2-yl)-5-(hydroxymethyl)-1H-imidazol-4-yl]phenyl]-5-(trifluoromethoxy)phenyl]-6-[4-(3-hydroxy-2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carboxamide (CID 134568289) is N-[2-chloro-4-[4-[2-(1,4-dimethylpyrrolidin-2-yl)-5-(hydroxymethyl)-1H-imidazol-4-yl]phenyl]-5-(trifluoromethoxy)phenyl]-6-[4-(3-hydroxy-2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-4-[4-[2-(1,4-dimethylpyrrolidin-2-yl)-5-(hydroxymethyl)-1H-imidazol-4-yl]phenyl]-5-(trifluoromethoxy)phenyl]-6-[4-(3-hydroxy-2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-chloro-4-[4-[2-(1,4-dimethylpyrrolidin-2-yl)-5-(hydroxymethyl)-1H-imidazol-4-yl]phenyl]-5-(trifluoromethoxy)phenyl]-6-[4-(3-hydroxy-2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carboxamide is CC1CC(c2nc(-c3ccc(-c4cc(Cl)c(NC(=O)c5ccc(N6CCN(C(=O)C(C)(C)CO)CC6)nc5)cc4OC(F)(F)F)cc3)c(CO)[nH]2)N(C)C1.
What is the InChIKey of N-[2-chloro-4-[4-[2-(1,4-dimethylpyrrolidin-2-yl)-5-(hydroxymethyl)-1H-imidazol-4-yl]phenyl]-5-(trifluoromethoxy)phenyl]-6-[4-(3-hydroxy-2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is RXPGOWPCHGJNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43ClF3N7O5/c1-22-15-30(47(4)19-22)34-44-29(20-50)33(46-34)24-7-5-23(6-8-24)26-16-27(39)28(17-31(26)54-38(40,41)42)45-35(52)25-9-10-32(43-18-25)48-11-13-49(14-12-48)36(53)37(2,3)21-51/h5-10,16-18,22,30,50-51H,11-15,19-21H2,1-4H3,(H,44,46)(H,45,52).
What are the key properties of N-[2-chloro-4-[4-[2-(1,4-dimethylpyrrolidin-2-yl)-5-(hydroxymethyl)-1H-imidazol-4-yl]phenyl]-5-(trifluoromethoxy)phenyl]-6-[4-(3-hydroxy-2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carboxamide?
N-[2-chloro-4-[4-[2-(1,4-dimethylpyrrolidin-2-yl)-5-(hydroxymethyl)-1H-imidazol-4-yl]phenyl]-5-(trifluoromethoxy)phenyl]-6-[4-(3-hydroxy-2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 770.25 g/mol, XLogP of 6.12, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[4-[2-(1,4-dimethylpyrrolidin-2-yl)-5-(hydroxymethyl)-1H-imidazol-4-yl]phenyl]-5-(trifluoromethoxy)phenyl]-6-[4-(3-hydroxy-2,2-dimethylpropanoyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134568289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).