(2-imidazol-1-yl-5-methylphenyl)-[3-[[2-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone

C47H49F6N11O2 — CID 123228048

IUPAC(2-imidazol-1-yl-5-methylphenyl)-[3-[[2-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
SMILESCc1ccc(-n2ccnc2)c(C(=O)N2CCCC(Cc3cnn(-c4ccc(C)cc4C(=O)N4CCCC(C)C4CNc4ccc(C(F)(F)F)cn4)n3)C2CNc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C47H49F6N11O2/c1-29-8-12-38(61-19-16-54-28-61)36(20-29)44(65)63-18-5-7-32(41(63)27-58-43-15-11-34(24-56-43)47(51,52)53)22-35-25-59-64(60-35)39-13-9-30(2)21-37(39)45(66)62-17-4-6-31(3)40(62)26-57-42-14-10-33(23-55-42)46(48,49)50/h8-16,19-21,23-25,28,31-32,40-41H,4-7,17-18,22,26-27H2,1-3H3,(H,55,57)(H,56,58)
InChIKeyGSRKSWHUGIPOED-UHFFFAOYSA-N
MW913.97 g/mol
LogP8.83
Rot. Bonds12

About (2-imidazol-1-yl-5-methylphenyl)-[3-[[2-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone

(2-imidazol-1-yl-5-methylphenyl)-[3-[[2-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone (PubChem CID 123228048) has the molecular formula C47H49F6N11O2 and a molecular weight of 913.97 g/mol. Its IUPAC name is (2-imidazol-1-yl-5-methylphenyl)-[3-[[2-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-imidazol-1-yl-5-methylphenyl)-[3-[[2-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
PubChem CID123228048
Molecular FormulaC47H49F6N11O2
Molecular Weight913.97 g/mol
Exact Mass913.40
IUPAC Name(2-imidazol-1-yl-5-methylphenyl)-[3-[[2-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
SMILESCc1ccc(-n2ccnc2)c(C(=O)N2CCCC(Cc3cnn(-c4ccc(C)cc4C(=O)N4CCCC(C)C4CNc4ccc(C(F)(F)F)cn4)n3)C2CNc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C47H49F6N11O2/c1-29-8-12-38(61-19-16-54-28-61)36(20-29)44(65)63-18-5-7-32(41(63)27-58-43-15-11-34(24-56-43)47(51,52)53)22-35-25-59-64(60-35)39-13-9-30(2)21-37(39)45(66)62-17-4-6-31(3)40(62)26-57-42-14-10-33(23-55-42)46(48,49)50/h8-16,19-21,23-25,28,31-32,40-41H,4-7,17-18,22,26-27H2,1-3H3,(H,55,57)(H,56,58)
InChIKeyGSRKSWHUGIPOED-UHFFFAOYSA-N
XLogP8.83
TPSA138.99 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500913.97
LogP ≤ 58.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze (2-imidazol-1-yl-5-methylphenyl)-[3-[[2-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

N-(2-Fluoro-5-(2-(4-methylpiperazin-1-yl)benzylcarbamoyl)phenyl)-7-(1-methyl-1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283192
3-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4]triazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-1H-quinazoline-2,4-dione
CID 10973768
5,8,11-Trimethyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 90431723
N-[2-[4-[[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 168079772
N-[2-[4-[[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 168079804
5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 169551944
1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-(1-pyridin-2-ylethyl)indole-3-carboxamide
CID 169551967
1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1R)-1-pyridin-2-ylethyl]indole-3-carboxamide
CID 169551968
1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-pyridin-2-ylethyl]indole-3-carboxamide
CID 169551969
5-[2-[(4,4-difluorocyclohexanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 169551977
[(2R,5R)-5-(isoquinolin-1-ylamino)-2-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 46213339
2,6-difluoro-N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-trifluoropropanoyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)isonicotinamide
CID 75593328

Frequently Asked Questions

What is the IUPAC name of (2-imidazol-1-yl-5-methylphenyl)-[3-[[2-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-imidazol-1-yl-5-methylphenyl)-[3-[[2-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone (CID 123228048) is (2-imidazol-1-yl-5-methylphenyl)-[3-[[2-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-imidazol-1-yl-5-methylphenyl)-[3-[[2-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-imidazol-1-yl-5-methylphenyl)-[3-[[2-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone is Cc1ccc(-n2ccnc2)c(C(=O)N2CCCC(Cc3cnn(-c4ccc(C)cc4C(=O)N4CCCC(C)C4CNc4ccc(C(F)(F)F)cn4)n3)C2CNc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of (2-imidazol-1-yl-5-methylphenyl)-[3-[[2-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone?
The InChIKey is GSRKSWHUGIPOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H49F6N11O2/c1-29-8-12-38(61-19-16-54-28-61)36(20-29)44(65)63-18-5-7-32(41(63)27-58-43-15-11-34(24-56-43)47(51,52)53)22-35-25-59-64(60-35)39-13-9-30(2)21-37(39)45(66)62-17-4-6-31(3)40(62)26-57-42-14-10-33(23-55-42)46(48,49)50/h8-16,19-21,23-25,28,31-32,40-41H,4-7,17-18,22,26-27H2,1-3H3,(H,55,57)(H,56,58).
What are the key properties of (2-imidazol-1-yl-5-methylphenyl)-[3-[[2-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone?
(2-imidazol-1-yl-5-methylphenyl)-[3-[[2-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone has a molecular weight of 913.97 g/mol, XLogP of 8.83, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2-imidazol-1-yl-5-methylphenyl)-[3-[[2-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 123228048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).