1-[6-[3,5-difluoro-2-[[2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-pyridinyl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate

C31H32F5N4O3- — CID 140814998

IUPAC1-[6-[3,5-difluoro-2-[[2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-pyridinyl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate
SMILESCc1nc(C2CCN(CC(F)(F)F)CC2)ccc1COc1c(F)cc(F)cc1-c1cccc(N2CCC(C(=O)[O-])CC2)n1
InChIInChI=1S/C31H33F5N4O3/c1-19-22(5-6-26(37-19)20-7-11-39(12-8-20)18-31(34,35)36)17-43-29-24(15-23(32)16-25(29)33)27-3-2-4-28(38-27)40-13-9-21(10-14-40)30(41)42/h2-6,15-16,20-21H,7-14,17-18H2,1H3,(H,41,42)/p-1
InChIKeyFMBFSKTZMYITMB-UHFFFAOYSA-M
MW603.61 g/mol
LogP5.02
Rot. Bonds8

About 1-[6-[3,5-difluoro-2-[[2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-pyridinyl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate

1-[6-[3,5-difluoro-2-[[2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-pyridinyl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate (PubChem CID 140814998) has the molecular formula C31H32F5N4O3- and a molecular weight of 603.61 g/mol. Its IUPAC name is 1-[6-[3,5-difluoro-2-[[2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-pyridinyl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate.

Molecular Properties

Compound Name1-[6-[3,5-difluoro-2-[[2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-pyridinyl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate
PubChem CID140814998
Molecular FormulaC31H32F5N4O3-
Molecular Weight603.61 g/mol
Exact Mass603.24
IUPAC Name1-[6-[3,5-difluoro-2-[[2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-pyridinyl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate
SMILESCc1nc(C2CCN(CC(F)(F)F)CC2)ccc1COc1c(F)cc(F)cc1-c1cccc(N2CCC(C(=O)[O-])CC2)n1
InChIInChI=1S/C31H33F5N4O3/c1-19-22(5-6-26(37-19)20-7-11-39(12-8-20)18-31(34,35)36)17-43-29-24(15-23(32)16-25(29)33)27-3-2-4-28(38-27)40-13-9-21(10-14-40)30(41)42/h2-6,15-16,20-21H,7-14,17-18H2,1H3,(H,41,42)/p-1
InChIKeyFMBFSKTZMYITMB-UHFFFAOYSA-M
XLogP5.02
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.61
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[6-[3,5-difluoro-2-[[2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-pyridinyl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate 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

US20240043448, Example 77
CID 156295470
Methyl 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]piperidin-1-yl]-6-(2-methoxyphenyl)pyridine-3-carboxylate
CID 58379301
[6'-(4-{[2-(Trifluoromethyl)phenyl]oxy}-1-piperidinyl)-2,3'-bipyridin-5yl]acetic acid
CID 59139777
Methyl 1-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate
CID 68069430
[2,4-Diamino-7-(2-fluoro-6-phenoxyphenyl)-3-methyl-2,4-dihydropyrido[2,3-d]pyrimidin-1-yl] 2,2,2-trifluoroacetate
CID 68764257
[2,4-Diamino-7-(2-fluoro-6-propan-2-yloxyphenyl)-3-methyl-2,4-dihydropyrido[2,3-d]pyrimidin-1-yl] 2,2,2-trifluoroacetate
CID 68765756
[2,4-Diamino-7-(2-fluoro-6-propoxyphenyl)-3-methyl-2,4-dihydropyrido[2,3-d]pyrimidin-1-yl] 2,2,2-trifluoroacetate
CID 68765799
[2,4-Diamino-7-(2-ethoxy-6-fluorophenyl)-3-methyl-2,4-dihydropyrido[2,3-d]pyrimidin-1-yl] 2,2,2-trifluoroacetate
CID 68767882
1-[6-[2-[[4-(4-Cyanophenoxy)phenyl]methoxy]-3,5-difluorophenyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 68868857
Ethyl 1-[6-[2-[(4-bromo-2-methylphenyl)methoxy]-3,5-difluorophenyl]-2-pyridinyl]piperidine-4-carboxylate
CID 68869437
1-[6-[5-Fluoro-2-[[4-(4-fluorophenoxy)phenyl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 68869656
1-[6-[3,5-Difluoro-2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]phenyl]pyridin-2-yl]piperidine-4-carboxylic acid
CID 68869936

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3,5-difluoro-2-[[2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-pyridinyl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate?
The IUPAC name of 1-[6-[3,5-difluoro-2-[[2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-pyridinyl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate (CID 140814998) is 1-[6-[3,5-difluoro-2-[[2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-pyridinyl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate.
What is the SMILES notation for 1-[6-[3,5-difluoro-2-[[2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-pyridinyl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate?
The canonical SMILES for 1-[6-[3,5-difluoro-2-[[2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-pyridinyl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate is Cc1nc(C2CCN(CC(F)(F)F)CC2)ccc1COc1c(F)cc(F)cc1-c1cccc(N2CCC(C(=O)[O-])CC2)n1.
What is the InChIKey of 1-[6-[3,5-difluoro-2-[[2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-pyridinyl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate?
The InChIKey is FMBFSKTZMYITMB-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H33F5N4O3/c1-19-22(5-6-26(37-19)20-7-11-39(12-8-20)18-31(34,35)36)17-43-29-24(15-23(32)16-25(29)33)27-3-2-4-28(38-27)40-13-9-21(10-14-40)30(41)42/h2-6,15-16,20-21H,7-14,17-18H2,1H3,(H,41,42)/p-1.
What are the key properties of 1-[6-[3,5-difluoro-2-[[2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-pyridinyl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate?
1-[6-[3,5-difluoro-2-[[2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-pyridinyl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate has a molecular weight of 603.61 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3,5-difluoro-2-[[2-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-pyridinyl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate is sourced from PubChem (CID 140814998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).