3-[2-[[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]cyclohexyl]methyl]indazol-5-yl]piperidine-2,6-dione

C63H74FN11O5 — CID 168882637

IUPAC3-[2-[[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]cyclohexyl]methyl]indazol-5-yl]piperidine-2,6-dione
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)C4(C)CCN(C(=O)C5CCC(Cn6cc7cc(C8CCC(=O)NC8=O)ccc7n6)CC5)CC4)CC3)nc(Nc3ccccc3F)c21
InChIInChI=1S/C63H74FN11O5/c1-39(2)74-38-65-53-35-52(67-57(56(53)74)66-51-10-6-5-9-49(51)64)43-15-18-48-54(32-43)75(46-33-45(34-46)70-25-7-4-8-26-70)61(80)63(48)23-29-72(30-24-63)60(79)62(3)21-27-71(28-22-62)59(78)41-13-11-40(12-14-41)36-73-37-44-31-42(16-19-50(44)69-73)47-17-20-55(76)68-58(47)77/h5-6,9-10,15-16,18-19,31-32,35,37-41,45-47H,4,7-8,11-14,17,20-30,33-34,36H2,1-3H3,(H,66,67)(H,68,76,77)
InChIKeyHPIXBPVDWVWMRX-UHFFFAOYSA-N
MW1084.35 g/mol
LogP9.79
Rot. Bonds11

About 3-[2-[[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]cyclohexyl]methyl]indazol-5-yl]piperidine-2,6-dione

3-[2-[[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]cyclohexyl]methyl]indazol-5-yl]piperidine-2,6-dione (PubChem CID 168882637) has the molecular formula C63H74FN11O5 and a molecular weight of 1084.35 g/mol. Its IUPAC name is 3-[2-[[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]cyclohexyl]methyl]indazol-5-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-[[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]cyclohexyl]methyl]indazol-5-yl]piperidine-2,6-dione
PubChem CID168882637
Molecular FormulaC63H74FN11O5
Molecular Weight1084.35 g/mol
Exact Mass1083.59
IUPAC Name3-[2-[[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]cyclohexyl]methyl]indazol-5-yl]piperidine-2,6-dione
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)C4(C)CCN(C(=O)C5CCC(Cn6cc7cc(C8CCC(=O)NC8=O)ccc7n6)CC5)CC4)CC3)nc(Nc3ccccc3F)c21
InChIInChI=1S/C63H74FN11O5/c1-39(2)74-38-65-53-35-52(67-57(56(53)74)66-51-10-6-5-9-49(51)64)43-15-18-48-54(32-43)75(46-33-45(34-46)70-25-7-4-8-26-70)61(80)63(48)23-29-72(30-24-63)60(79)62(3)21-27-71(28-22-62)59(78)41-13-11-40(12-14-41)36-73-37-44-31-42(16-19-50(44)69-73)47-17-20-55(76)68-58(47)77/h5-6,9-10,15-16,18-19,31-32,35,37-41,45-47H,4,7-8,11-14,17,20-30,33-34,36H2,1-3H3,(H,66,67)(H,68,76,77)
InChIKeyHPIXBPVDWVWMRX-UHFFFAOYSA-N
XLogP9.79
TPSA170.90 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001084.35
LogP ≤ 59.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[2-[[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]cyclohexyl]methyl]indazol-5-yl]piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]cyclohexyl]methyl]indazol-5-yl]piperidine-2,6-dione?
The IUPAC name of 3-[2-[[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]cyclohexyl]methyl]indazol-5-yl]piperidine-2,6-dione (CID 168882637) is 3-[2-[[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]cyclohexyl]methyl]indazol-5-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-[[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]cyclohexyl]methyl]indazol-5-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-[[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]cyclohexyl]methyl]indazol-5-yl]piperidine-2,6-dione is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)C4(C)CCN(C(=O)C5CCC(Cn6cc7cc(C8CCC(=O)NC8=O)ccc7n6)CC5)CC4)CC3)nc(Nc3ccccc3F)c21.
What is the InChIKey of 3-[2-[[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]cyclohexyl]methyl]indazol-5-yl]piperidine-2,6-dione?
The InChIKey is HPIXBPVDWVWMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H74FN11O5/c1-39(2)74-38-65-53-35-52(67-57(56(53)74)66-51-10-6-5-9-49(51)64)43-15-18-48-54(32-43)75(46-33-45(34-46)70-25-7-4-8-26-70)61(80)63(48)23-29-72(30-24-63)60(79)62(3)21-27-71(28-22-62)59(78)41-13-11-40(12-14-41)36-73-37-44-31-42(16-19-50(44)69-73)47-17-20-55(76)68-58(47)77/h5-6,9-10,15-16,18-19,31-32,35,37-41,45-47H,4,7-8,11-14,17,20-30,33-34,36H2,1-3H3,(H,66,67)(H,68,76,77).
What are the key properties of 3-[2-[[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]cyclohexyl]methyl]indazol-5-yl]piperidine-2,6-dione?
3-[2-[[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]cyclohexyl]methyl]indazol-5-yl]piperidine-2,6-dione has a molecular weight of 1084.35 g/mol, XLogP of 9.79, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]cyclohexyl]methyl]indazol-5-yl]piperidine-2,6-dione is sourced from PubChem (CID 168882637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).