6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one

C33H43N7O — CID 168881709

IUPAC6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCNCC3)nc(NC3CC3)c21
InChIInChI=1S/C33H43N7O/c1-21(2)39-20-35-28-19-27(37-31(30(28)39)36-23-7-8-23)22-6-9-26-29(16-22)40(32(41)33(26)10-12-34-13-11-33)25-17-24(18-25)38-14-4-3-5-15-38/h6,9,16,19-21,23-25,34H,3-5,7-8,10-15,17-18H2,1-2H3,(H,36,37)
InChIKeyFEZNNBMQTGDHLJ-UHFFFAOYSA-N
MW553.76 g/mol
LogP5.24
Rot. Bonds6

About 6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one

6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 168881709) has the molecular formula C33H43N7O and a molecular weight of 553.76 g/mol. Its IUPAC name is 6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID168881709
Molecular FormulaC33H43N7O
Molecular Weight553.76 g/mol
Exact Mass553.35
IUPAC Name6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCNCC3)nc(NC3CC3)c21
InChIInChI=1S/C33H43N7O/c1-21(2)39-20-35-28-19-27(37-31(30(28)39)36-23-7-8-23)22-6-9-26-29(16-22)40(32(41)33(26)10-12-34-13-11-33)25-17-24(18-25)38-14-4-3-5-15-38/h6,9,16,19-21,23-25,34H,3-5,7-8,10-15,17-18H2,1-2H3,(H,36,37)
InChIKeyFEZNNBMQTGDHLJ-UHFFFAOYSA-N
XLogP5.24
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.76
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one (CID 168881709) is 6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCNCC3)nc(NC3CC3)c21.
What is the InChIKey of 6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is FEZNNBMQTGDHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N7O/c1-21(2)39-20-35-28-19-27(37-31(30(28)39)36-23-7-8-23)22-6-9-26-29(16-22)40(32(41)33(26)10-12-34-13-11-33)25-17-24(18-25)38-14-4-3-5-15-38/h6,9,16,19-21,23-25,34H,3-5,7-8,10-15,17-18H2,1-2H3,(H,36,37).
What are the key properties of 6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 553.76 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 168881709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).