3-[6-[4-[(3S,4S)-4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione

C56H71N11O5 — CID 168882402

IUPAC3-[6-[4-[(3S,4S)-4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-3-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)[C@H]4CCN(C(=O)C5CCN(c6ccc(C7CCC(=O)NC7=O)cn6)CC5)C[C@H]4C)CC3)nc(NC3CC3)c21
InChIInChI=1S/C56H71N11O5/c1-34(2)66-33-58-46-30-45(60-51(50(46)66)59-39-9-10-39)37-7-12-44-47(27-37)67(41-28-40(29-41)62-20-5-4-6-21-62)55(72)56(44)18-25-64(26-19-56)54(71)42-17-24-65(32-35(42)3)53(70)36-15-22-63(23-16-36)48-13-8-38(31-57-48)43-11-14-49(68)61-52(43)69/h7-8,12-13,27,30-31,33-36,39-43H,4-6,9-11,14-26,28-29,32H2,1-3H3,(H,59,60)(H,61,68,69)/t35-,40?,41?,42+,43?/m1/s1
InChIKeyGARJPJUYGABSQL-HVUNEQQPSA-N
MW978.26 g/mol
LogP6.79
Rot. Bonds10

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

3-[6-[4-[(3S,4S)-4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione (PubChem CID 168882402) has the molecular formula C56H71N11O5 and a molecular weight of 978.26 g/mol. Its IUPAC name is 3-[6-[4-[(3S,4S)-4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[4-[(3S,4S)-4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
PubChem CID168882402
Molecular FormulaC56H71N11O5
Molecular Weight978.26 g/mol
Exact Mass977.56
IUPAC Name3-[6-[4-[(3S,4S)-4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-3-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)[C@H]4CCN(C(=O)C5CCN(c6ccc(C7CCC(=O)NC7=O)cn6)CC5)C[C@H]4C)CC3)nc(NC3CC3)c21
InChIInChI=1S/C56H71N11O5/c1-34(2)66-33-58-46-30-45(60-51(50(46)66)59-39-9-10-39)37-7-12-44-47(27-37)67(41-28-40(29-41)62-20-5-4-6-21-62)55(72)56(44)18-25-64(26-19-56)54(71)42-17-24-65(32-35(42)3)53(70)36-15-22-63(23-16-36)48-13-8-38(31-57-48)43-11-14-49(68)61-52(43)69/h7-8,12-13,27,30-31,33-36,39-43H,4-6,9-11,14-26,28-29,32H2,1-3H3,(H,59,60)(H,61,68,69)/t35-,40?,41?,42+,43?/m1/s1
InChIKeyGARJPJUYGABSQL-HVUNEQQPSA-N
XLogP6.79
TPSA169.21 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500978.26
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-[6-[4-[(3S,4S)-4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-3-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-[(3S,4S)-4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[4-[(3S,4S)-4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione (CID 168882402) is 3-[6-[4-[(3S,4S)-4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[4-[(3S,4S)-4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[4-[(3S,4S)-4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-3-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)[C@H]4CCN(C(=O)C5CCN(c6ccc(C7CCC(=O)NC7=O)cn6)CC5)C[C@H]4C)CC3)nc(NC3CC3)c21.
What is the InChIKey of 3-[6-[4-[(3S,4S)-4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The InChIKey is GARJPJUYGABSQL-HVUNEQQPSA-N. The full InChI is InChI=1S/C56H71N11O5/c1-34(2)66-33-58-46-30-45(60-51(50(46)66)59-39-9-10-39)37-7-12-44-47(27-37)67(41-28-40(29-41)62-20-5-4-6-21-62)55(72)56(44)18-25-64(26-19-56)54(71)42-17-24-65(32-35(42)3)53(70)36-15-22-63(23-16-36)48-13-8-38(31-57-48)43-11-14-49(68)61-52(43)69/h7-8,12-13,27,30-31,33-36,39-43H,4-6,9-11,14-26,28-29,32H2,1-3H3,(H,59,60)(H,61,68,69)/t35-,40?,41?,42+,43?/m1/s1.
What are the key properties of 3-[6-[4-[(3S,4S)-4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
3-[6-[4-[(3S,4S)-4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione has a molecular weight of 978.26 g/mol, XLogP of 6.79, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[(3S,4S)-4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione is sourced from PubChem (CID 168882402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).