3-[6-[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]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione

C59H70FN11O5 — CID 168881703

IUPAC3-[6-[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]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)C4(C)CCN(C(=O)C5CCN(c6ccc(C7CCC(=O)NC7=O)cn6)CC5)CC4)CC3)nc(Nc3ccccc3F)c21
InChIInChI=1S/C59H70FN11O5/c1-37(2)70-36-62-48-34-47(64-53(52(48)70)63-46-10-6-5-9-45(46)60)39-11-14-44-49(31-39)71(42-32-41(33-42)66-23-7-4-8-24-66)57(76)59(44)21-29-69(30-22-59)56(75)58(3)19-27-68(28-20-58)55(74)38-17-25-67(26-18-38)50-15-12-40(35-61-50)43-13-16-51(72)65-54(43)73/h5-6,9-12,14-15,31,34-38,41-43H,4,7-8,13,16-30,32-33H2,1-3H3,(H,63,64)(H,65,72,73)
InChIKeyWVSDDSFMABLQMJ-UHFFFAOYSA-N
MW1032.28 g/mol
LogP8.25
Rot. Bonds10

About 3-[6-[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]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione

3-[6-[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]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione (PubChem CID 168881703) has the molecular formula C59H70FN11O5 and a molecular weight of 1032.28 g/mol. Its IUPAC name is 3-[6-[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]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[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]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
PubChem CID168881703
Molecular FormulaC59H70FN11O5
Molecular Weight1032.28 g/mol
Exact Mass1031.55
IUPAC Name3-[6-[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]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)C4(C)CCN(C(=O)C5CCN(c6ccc(C7CCC(=O)NC7=O)cn6)CC5)CC4)CC3)nc(Nc3ccccc3F)c21
InChIInChI=1S/C59H70FN11O5/c1-37(2)70-36-62-48-34-47(64-53(52(48)70)63-46-10-6-5-9-45(46)60)39-11-14-44-49(31-39)71(42-32-41(33-42)66-23-7-4-8-24-66)57(76)59(44)21-29-69(30-22-59)56(75)58(3)19-27-68(28-20-58)55(74)38-17-25-67(26-18-38)50-15-12-40(35-61-50)43-13-16-51(72)65-54(43)73/h5-6,9-12,14-15,31,34-38,41-43H,4,7-8,13,16-30,32-33H2,1-3H3,(H,63,64)(H,65,72,73)
InChIKeyWVSDDSFMABLQMJ-UHFFFAOYSA-N
XLogP8.25
TPSA169.21 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001032.28
LogP ≤ 58.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-[6-[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]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[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]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[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]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione (CID 168881703) is 3-[6-[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]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[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]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[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]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)C4(C)CCN(C(=O)C5CCN(c6ccc(C7CCC(=O)NC7=O)cn6)CC5)CC4)CC3)nc(Nc3ccccc3F)c21.
What is the InChIKey of 3-[6-[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]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The InChIKey is WVSDDSFMABLQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H70FN11O5/c1-37(2)70-36-62-48-34-47(64-53(52(48)70)63-46-10-6-5-9-45(46)60)39-11-14-44-49(31-39)71(42-32-41(33-42)66-23-7-4-8-24-66)57(76)59(44)21-29-69(30-22-59)56(75)58(3)19-27-68(28-20-58)55(74)38-17-25-67(26-18-38)50-15-12-40(35-61-50)43-13-16-51(72)65-54(43)73/h5-6,9-12,14-15,31,34-38,41-43H,4,7-8,13,16-30,32-33H2,1-3H3,(H,63,64)(H,65,72,73).
What are the key properties of 3-[6-[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]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
3-[6-[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]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione has a molecular weight of 1032.28 g/mol, XLogP of 8.25, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[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]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione is sourced from PubChem (CID 168881703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).