cyclohexyl-[2-(2-methoxy-3-pyridinyl)-3-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]pyrrolidin-1-yl]methanone

C26H32F3N3O4 — CID 134532507

IUPACcyclohexyl-[2-(2-methoxy-3-pyridinyl)-3-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(OC(F)(F)F)cc1CNC1CCN(C(=O)C2CCCCC2)C1c1cccnc1OC
InChIInChI=1S/C26H32F3N3O4/c1-34-22-11-10-19(36-26(27,28)29)15-18(22)16-31-21-12-14-32(25(33)17-7-4-3-5-8-17)23(21)20-9-6-13-30-24(20)35-2/h6,9-11,13,15,17,21,23,31H,3-5,7-8,12,14,16H2,1-2H3
InChIKeyMIEBZCFFAQHRBQ-UHFFFAOYSA-N
MW507.55 g/mol
LogP5.01
Rot. Bonds8

About cyclohexyl-[2-(2-methoxy-3-pyridinyl)-3-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]pyrrolidin-1-yl]methanone

cyclohexyl-[2-(2-methoxy-3-pyridinyl)-3-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]pyrrolidin-1-yl]methanone (PubChem CID 134532507) has the molecular formula C26H32F3N3O4 and a molecular weight of 507.55 g/mol. Its IUPAC name is cyclohexyl-[2-(2-methoxy-3-pyridinyl)-3-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[2-(2-methoxy-3-pyridinyl)-3-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]pyrrolidin-1-yl]methanone
PubChem CID134532507
Molecular FormulaC26H32F3N3O4
Molecular Weight507.55 g/mol
Exact Mass507.23
IUPAC Namecyclohexyl-[2-(2-methoxy-3-pyridinyl)-3-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(OC(F)(F)F)cc1CNC1CCN(C(=O)C2CCCCC2)C1c1cccnc1OC
InChIInChI=1S/C26H32F3N3O4/c1-34-22-11-10-19(36-26(27,28)29)15-18(22)16-31-21-12-14-32(25(33)17-7-4-3-5-8-17)23(21)20-9-6-13-30-24(20)35-2/h6,9-11,13,15,17,21,23,31H,3-5,7-8,12,14,16H2,1-2H3
InChIKeyMIEBZCFFAQHRBQ-UHFFFAOYSA-N
XLogP5.01
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.55
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylcyclohexane-1-carboxamide
CID 168280932
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N-(4-methoxybenzyl)-3-phenyl-2-(1H-pyrrol-1-yl)propanamide
CID 16194135
7-methoxy-3-oxo-2-(2-pyridin-2-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44545166
(2S,5R)-7-methyl-2-[4-[3-(trifluoromethoxy)phenyl]pyridin-2-yl]-1,7-diazaspiro[4.4]nonan-6-one
CID 71626223
N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl}cyclohexanecarboxamide
CID 3240844
1-(2-methoxybenzyl)-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)prolinamide
CID 3243598
2-[(2,5-Dimethoxyphenyl)methyl]-3-oxo-N-[(pyridin-3-YL)methyl]-2,3-dihydro-1H-isoindole-1-carboxamide
CID 5308839
3-{1-[2-(difluoromethoxy)benzyl]-3-piperidinyl}-N-methyl-N-[2-(2-pyridinyl)ethyl]propanamide
CID 16188320
6-oxo-1-(2-pyridinylmethyl)-N-[2-(trifluoromethoxy)benzyl]-3-piperidinecarboxamide
CID 24792936
2-cyclohexyl-2-(4-methoxyphenyl)-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetamide
CID 44430539
4-(aminomethyl)-N-[(2S)-1-(octylamino)-1-oxo-3-[4-[[3-(pyridin-4-ylmethoxy)phenyl]methoxy]phenyl]propan-2-yl]cyclohexane-1-carboxamide
CID 127035151

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[2-(2-methoxy-3-pyridinyl)-3-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[2-(2-methoxy-3-pyridinyl)-3-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]pyrrolidin-1-yl]methanone (CID 134532507) is cyclohexyl-[2-(2-methoxy-3-pyridinyl)-3-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[2-(2-methoxy-3-pyridinyl)-3-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[2-(2-methoxy-3-pyridinyl)-3-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]pyrrolidin-1-yl]methanone is COc1ccc(OC(F)(F)F)cc1CNC1CCN(C(=O)C2CCCCC2)C1c1cccnc1OC.
What is the InChIKey of cyclohexyl-[2-(2-methoxy-3-pyridinyl)-3-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]pyrrolidin-1-yl]methanone?
The InChIKey is MIEBZCFFAQHRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N3O4/c1-34-22-11-10-19(36-26(27,28)29)15-18(22)16-31-21-12-14-32(25(33)17-7-4-3-5-8-17)23(21)20-9-6-13-30-24(20)35-2/h6,9-11,13,15,17,21,23,31H,3-5,7-8,12,14,16H2,1-2H3.
What are the key properties of cyclohexyl-[2-(2-methoxy-3-pyridinyl)-3-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]pyrrolidin-1-yl]methanone?
cyclohexyl-[2-(2-methoxy-3-pyridinyl)-3-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]pyrrolidin-1-yl]methanone has a molecular weight of 507.55 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-(2-methoxy-3-pyridinyl)-3-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 134532507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).