N-[3-chloro-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-1-methyl-5-[1-[2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide

C29H31ClF6N8O4 — CID 155098089

IUPACN-[3-chloro-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-1-methyl-5-[1-[2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide
SMILESCn1c(-c2cn(CCOC(F)(F)F)nc2C(F)(F)F)cnc1C(=O)Nc1ccc(C(=O)N2CCN(C(=O)C3CCNCC3)CC2)c(Cl)c1
InChIInChI=1S/C29H31ClF6N8O4/c1-41-22(20-16-44(12-13-48-29(34,35)36)40-23(20)28(31,32)33)15-38-24(41)25(45)39-18-2-3-19(21(30)14-18)27(47)43-10-8-42(9-11-43)26(46)17-4-6-37-7-5-17/h2-3,14-17,37H,4-13H2,1H3,(H,39,45)
InChIKeyNFEUNJFCOTYGFM-UHFFFAOYSA-N
MW705.06 g/mol
LogP4.03
Rot. Bonds8

About N-[3-chloro-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-1-methyl-5-[1-[2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide

N-[3-chloro-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-1-methyl-5-[1-[2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide (PubChem CID 155098089) has the molecular formula C29H31ClF6N8O4 and a molecular weight of 705.06 g/mol. Its IUPAC name is N-[3-chloro-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-1-methyl-5-[1-[2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-1-methyl-5-[1-[2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide
PubChem CID155098089
Molecular FormulaC29H31ClF6N8O4
Molecular Weight705.06 g/mol
Exact Mass704.21
IUPAC NameN-[3-chloro-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-1-methyl-5-[1-[2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide
SMILESCn1c(-c2cn(CCOC(F)(F)F)nc2C(F)(F)F)cnc1C(=O)Nc1ccc(C(=O)N2CCN(C(=O)C3CCNCC3)CC2)c(Cl)c1
InChIInChI=1S/C29H31ClF6N8O4/c1-41-22(20-16-44(12-13-48-29(34,35)36)40-23(20)28(31,32)33)15-38-24(41)25(45)39-18-2-3-19(21(30)14-18)27(47)43-10-8-42(9-11-43)26(46)17-4-6-37-7-5-17/h2-3,14-17,37H,4-13H2,1H3,(H,39,45)
InChIKeyNFEUNJFCOTYGFM-UHFFFAOYSA-N
XLogP4.03
TPSA126.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500705.06
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[3-chloro-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-1-methyl-5-[1-[2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide with MolForge

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Related Compounds

N-[3-chloro-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-1-methyl-5-[1-[2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide;hydrochloride
CID 155098522
N-[3-chloro-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-5-[1-(2-cyanoethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide
CID 155098377
N-[3-chloro-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-5-[1-(cyclobutylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride
CID 155098902
N-[3-chloro-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-5-[1-(4-methoxybut-2-ynyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide
CID 155098113
N-[3-chloro-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-1-methyl-5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide;hydrochloride
CID 155098899
N-[3-bromo-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride
CID 155098531
N-[3-chloro-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-5-[1-[5-(2-methoxyethoxy)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide
CID 162739569
5-[1-but-3-yn-2-yl-3-(trifluoromethyl)pyrazol-4-yl]-N-[3-chloro-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-1-methylimidazole-2-carboxamide
CID 155098492
N-[3-chloro-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-5-[2,3-difluoro-4-[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]phenyl]-1-methylimidazole-2-carboxamide
CID 166473774
tert-butyl 4-[4-[2-chloro-4-[[5-[1-(cyanomethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carbonyl]amino]benzoyl]piperazine-1-carbonyl]piperidine-1-carboxylate
CID 155098804
N-[3-chloro-4-[[3-(piperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamoyl]phenyl]-5-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide
CID 155098312
N-[4-[4-[(1R,5S)-3-azabicyclo[3.1.0]hexane-6-carbonyl]piperazine-1-carbonyl]-3-chlorophenyl]-1-methyl-5-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide
CID 155098223

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-1-methyl-5-[1-[2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide?
The IUPAC name of N-[3-chloro-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-1-methyl-5-[1-[2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide (CID 155098089) is N-[3-chloro-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-1-methyl-5-[1-[2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-1-methyl-5-[1-[2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-1-methyl-5-[1-[2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide is Cn1c(-c2cn(CCOC(F)(F)F)nc2C(F)(F)F)cnc1C(=O)Nc1ccc(C(=O)N2CCN(C(=O)C3CCNCC3)CC2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-1-methyl-5-[1-[2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide?
The InChIKey is NFEUNJFCOTYGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClF6N8O4/c1-41-22(20-16-44(12-13-48-29(34,35)36)40-23(20)28(31,32)33)15-38-24(41)25(45)39-18-2-3-19(21(30)14-18)27(47)43-10-8-42(9-11-43)26(46)17-4-6-37-7-5-17/h2-3,14-17,37H,4-13H2,1H3,(H,39,45).
What are the key properties of N-[3-chloro-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-1-methyl-5-[1-[2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide?
N-[3-chloro-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-1-methyl-5-[1-[2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide has a molecular weight of 705.06 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[4-(piperidine-4-carbonyl)piperazine-1-carbonyl]phenyl]-1-methyl-5-[1-[2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide is sourced from PubChem (CID 155098089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).