6-N-[1-[[4-fluoro-3-[3-[2-[4-[5-[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]pyridine-2-carbonyl]piperazin-1-yl]ethyl]phenyl]phenyl]methyl]piperidin-4-yl]-2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2,6-dicarboxamide

C62H71F3N10O3 — CID 123332216

IUPAC6-N-[1-[[4-fluoro-3-[3-[2-[4-[5-[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]pyridine-2-carbonyl]piperazin-1-yl]ethyl]phenyl]phenyl]methyl]piperidin-4-yl]-2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2,6-dicarboxamide
SMILESCC(c1ccc(C(=O)N2CCN(CCc3cccc(-c4cc(CN5CCC(NC(=O)c6cccc(C(=O)NC7CCN(Cc8ccc(F)cc8)CC7)n6)CC5)ccc4F)c3)CC2)nc1)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C62H71F3N10O3/c1-44(74-34-32-73(33-35-74)42-47-10-16-52(64)17-11-47)50-13-19-59(66-40-50)62(78)75-36-30-70(31-37-75)25-20-45-4-2-5-49(38-45)55-39-48(12-18-56(55)65)43-72-28-23-54(24-29-72)68-61(77)58-7-3-6-57(69-58)60(76)67-53-21-26-71(27-22-53)41-46-8-14-51(63)15-9-46/h2-19,38-40,44,53-54H,20-37,41-43H2,1H3,(H,67,76)(H,68,77)
InChIKeyYSBPJKDZRLPUEG-UHFFFAOYSA-N
MW1061.31 g/mol
LogP8.23
Rot. Bonds17

About 6-N-[1-[[4-fluoro-3-[3-[2-[4-[5-[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]pyridine-2-carbonyl]piperazin-1-yl]ethyl]phenyl]phenyl]methyl]piperidin-4-yl]-2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2,6-dicarboxamide

6-N-[1-[[4-fluoro-3-[3-[2-[4-[5-[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]pyridine-2-carbonyl]piperazin-1-yl]ethyl]phenyl]phenyl]methyl]piperidin-4-yl]-2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2,6-dicarboxamide (PubChem CID 123332216) has the molecular formula C62H71F3N10O3 and a molecular weight of 1061.31 g/mol. Its IUPAC name is 6-N-[1-[[4-fluoro-3-[3-[2-[4-[5-[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]pyridine-2-carbonyl]piperazin-1-yl]ethyl]phenyl]phenyl]methyl]piperidin-4-yl]-2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-[1-[[4-fluoro-3-[3-[2-[4-[5-[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]pyridine-2-carbonyl]piperazin-1-yl]ethyl]phenyl]phenyl]methyl]piperidin-4-yl]-2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2,6-dicarboxamide
PubChem CID123332216
Molecular FormulaC62H71F3N10O3
Molecular Weight1061.31 g/mol
Exact Mass1060.57
IUPAC Name6-N-[1-[[4-fluoro-3-[3-[2-[4-[5-[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]pyridine-2-carbonyl]piperazin-1-yl]ethyl]phenyl]phenyl]methyl]piperidin-4-yl]-2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2,6-dicarboxamide
SMILESCC(c1ccc(C(=O)N2CCN(CCc3cccc(-c4cc(CN5CCC(NC(=O)c6cccc(C(=O)NC7CCN(Cc8ccc(F)cc8)CC7)n6)CC5)ccc4F)c3)CC2)nc1)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C62H71F3N10O3/c1-44(74-34-32-73(33-35-74)42-47-10-16-52(64)17-11-47)50-13-19-59(66-40-50)62(78)75-36-30-70(31-37-75)25-20-45-4-2-5-49(38-45)55-39-48(12-18-56(55)65)43-72-28-23-54(24-29-72)68-61(77)58-7-3-6-57(69-58)60(76)67-53-21-26-71(27-22-53)41-46-8-14-51(63)15-9-46/h2-19,38-40,44,53-54H,20-37,41-43H2,1H3,(H,67,76)(H,68,77)
InChIKeyYSBPJKDZRLPUEG-UHFFFAOYSA-N
XLogP8.23
TPSA120.49 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.31
LogP ≤ 58.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-N-[1-[[4-fluoro-3-[3-[2-[4-[5-[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]pyridine-2-carbonyl]piperazin-1-yl]ethyl]phenyl]phenyl]methyl]piperidin-4-yl]-2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2,6-dicarboxamide with MolForge

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Related Compounds

Lgh-447
CID 44814409
((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
Jnj-31020028
CID 25134625
N-[4-[4-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide
CID 25151875
methyl N-[(3R,4S,5S)-3-amino-1-[3-[[3-amino-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carbonyl]amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate
CID 91937649
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 24894053
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 46179491
N-(4-((1R,3S)-3-aminocyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide
CID 59226389
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(fluoro(4-fluorophenyl)methyl) piperidine-1-carbonyl)picolinamide
CID 66710312
(S)-3-amino-N-(4-(3-aminopiperidin-1-yl)pyridin-3-yl)-6-(2-fluorophenyl)picolinamide
CID 68187375
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 68187480
Tc-6987
CID 44511587

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-[[4-fluoro-3-[3-[2-[4-[5-[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]pyridine-2-carbonyl]piperazin-1-yl]ethyl]phenyl]phenyl]methyl]piperidin-4-yl]-2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-[1-[[4-fluoro-3-[3-[2-[4-[5-[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]pyridine-2-carbonyl]piperazin-1-yl]ethyl]phenyl]phenyl]methyl]piperidin-4-yl]-2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2,6-dicarboxamide (CID 123332216) is 6-N-[1-[[4-fluoro-3-[3-[2-[4-[5-[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]pyridine-2-carbonyl]piperazin-1-yl]ethyl]phenyl]phenyl]methyl]piperidin-4-yl]-2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-[1-[[4-fluoro-3-[3-[2-[4-[5-[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]pyridine-2-carbonyl]piperazin-1-yl]ethyl]phenyl]phenyl]methyl]piperidin-4-yl]-2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-[1-[[4-fluoro-3-[3-[2-[4-[5-[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]pyridine-2-carbonyl]piperazin-1-yl]ethyl]phenyl]phenyl]methyl]piperidin-4-yl]-2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2,6-dicarboxamide is CC(c1ccc(C(=O)N2CCN(CCc3cccc(-c4cc(CN5CCC(NC(=O)c6cccc(C(=O)NC7CCN(Cc8ccc(F)cc8)CC7)n6)CC5)ccc4F)c3)CC2)nc1)N1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 6-N-[1-[[4-fluoro-3-[3-[2-[4-[5-[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]pyridine-2-carbonyl]piperazin-1-yl]ethyl]phenyl]phenyl]methyl]piperidin-4-yl]-2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2,6-dicarboxamide?
The InChIKey is YSBPJKDZRLPUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H71F3N10O3/c1-44(74-34-32-73(33-35-74)42-47-10-16-52(64)17-11-47)50-13-19-59(66-40-50)62(78)75-36-30-70(31-37-75)25-20-45-4-2-5-49(38-45)55-39-48(12-18-56(55)65)43-72-28-23-54(24-29-72)68-61(77)58-7-3-6-57(69-58)60(76)67-53-21-26-71(27-22-53)41-46-8-14-51(63)15-9-46/h2-19,38-40,44,53-54H,20-37,41-43H2,1H3,(H,67,76)(H,68,77).
What are the key properties of 6-N-[1-[[4-fluoro-3-[3-[2-[4-[5-[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]pyridine-2-carbonyl]piperazin-1-yl]ethyl]phenyl]phenyl]methyl]piperidin-4-yl]-2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2,6-dicarboxamide?
6-N-[1-[[4-fluoro-3-[3-[2-[4-[5-[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]pyridine-2-carbonyl]piperazin-1-yl]ethyl]phenyl]phenyl]methyl]piperidin-4-yl]-2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2,6-dicarboxamide has a molecular weight of 1061.31 g/mol, XLogP of 8.23, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-[[4-fluoro-3-[3-[2-[4-[5-[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]pyridine-2-carbonyl]piperazin-1-yl]ethyl]phenyl]phenyl]methyl]piperidin-4-yl]-2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 123332216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).