[1-[2-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropan-2-yl] 4-[7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C58H63F7N10O8 — CID 174182298

IUPAC[1-[2-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropan-2-yl] 4-[7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nc3nc(CC(C)(C)OC(=O)N4CC=C(c5nc6nccc(C7CCN(C(=O)c8ccc(OC(F)(F)F)cc8)CC7)c6[nH]5)CC4)cc(C4CCN(C(=O)c5ccc(OC(F)(F)F)cc5)CC4)c3[nH]2)C(F)C1
InChIInChI=1S/C58H63F7N10O8/c1-55(2,3)82-54(79)75-29-21-42(44(59)32-75)48-69-46-43(34-17-25-73(26-18-34)52(77)37-8-12-40(13-9-37)81-58(63,64)65)30-38(67-50(46)71-48)31-56(4,5)83-53(78)74-27-19-35(20-28-74)47-68-45-41(14-22-66-49(45)70-47)33-15-23-72(24-16-33)51(76)36-6-10-39(11-7-36)80-57(60,61)62/h6-14,19,22,30,33-34,42,44H,15-18,20-21,23-29,31-32H2,1-5H3,(H,66,68,70)(H,67,69,71)
InChIKeyJIMBJWQCUHFMJO-UHFFFAOYSA-N
MW1161.19 g/mol
LogP11.38
Rot. Bonds11

About [1-[2-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropan-2-yl] 4-[7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

[1-[2-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropan-2-yl] 4-[7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 174182298) has the molecular formula C58H63F7N10O8 and a molecular weight of 1161.19 g/mol. Its IUPAC name is [1-[2-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropan-2-yl] 4-[7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Name[1-[2-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropan-2-yl] 4-[7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID174182298
Molecular FormulaC58H63F7N10O8
Molecular Weight1161.19 g/mol
Exact Mass1160.47
IUPAC Name[1-[2-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropan-2-yl] 4-[7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nc3nc(CC(C)(C)OC(=O)N4CC=C(c5nc6nccc(C7CCN(C(=O)c8ccc(OC(F)(F)F)cc8)CC7)c6[nH]5)CC4)cc(C4CCN(C(=O)c5ccc(OC(F)(F)F)cc5)CC4)c3[nH]2)C(F)C1
InChIInChI=1S/C58H63F7N10O8/c1-55(2,3)82-54(79)75-29-21-42(44(59)32-75)48-69-46-43(34-17-25-73(26-18-34)52(77)37-8-12-40(13-9-37)81-58(63,64)65)30-38(67-50(46)71-48)31-56(4,5)83-53(78)74-27-19-35(20-28-74)47-68-45-41(14-22-66-49(45)70-47)33-15-23-72(24-16-33)51(76)36-6-10-39(11-7-36)80-57(60,61)62/h6-14,19,22,30,33-34,42,44H,15-18,20-21,23-29,31-32H2,1-5H3,(H,66,68,70)(H,67,69,71)
InChIKeyJIMBJWQCUHFMJO-UHFFFAOYSA-N
XLogP11.38
TPSA201.30 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001161.19
LogP ≤ 511.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze [1-[2-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropan-2-yl] 4-[7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropan-2-yl] 4-[7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of [1-[2-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropan-2-yl] 4-[7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 174182298) is [1-[2-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropan-2-yl] 4-[7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for [1-[2-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropan-2-yl] 4-[7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for [1-[2-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropan-2-yl] 4-[7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2nc3nc(CC(C)(C)OC(=O)N4CC=C(c5nc6nccc(C7CCN(C(=O)c8ccc(OC(F)(F)F)cc8)CC7)c6[nH]5)CC4)cc(C4CCN(C(=O)c5ccc(OC(F)(F)F)cc5)CC4)c3[nH]2)C(F)C1.
What is the InChIKey of [1-[2-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropan-2-yl] 4-[7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is JIMBJWQCUHFMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H63F7N10O8/c1-55(2,3)82-54(79)75-29-21-42(44(59)32-75)48-69-46-43(34-17-25-73(26-18-34)52(77)37-8-12-40(13-9-37)81-58(63,64)65)30-38(67-50(46)71-48)31-56(4,5)83-53(78)74-27-19-35(20-28-74)47-68-45-41(14-22-66-49(45)70-47)33-15-23-72(24-16-33)51(76)36-6-10-39(11-7-36)80-57(60,61)62/h6-14,19,22,30,33-34,42,44H,15-18,20-21,23-29,31-32H2,1-5H3,(H,66,68,70)(H,67,69,71).
What are the key properties of [1-[2-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropan-2-yl] 4-[7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
[1-[2-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropan-2-yl] 4-[7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 1161.19 g/mol, XLogP of 11.38, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropan-2-yl] 4-[7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 174182298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).