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'-carbaldehyde

C34H43N7O2 — CID 168881754

IUPAC6-[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'-carbaldehyde
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C=O)CC3)nc(NC3CC3)c21
InChIInChI=1S/C34H43N7O2/c1-22(2)40-20-35-29-19-28(37-32(31(29)40)36-24-7-8-24)23-6-9-27-30(16-23)41(26-17-25(18-26)39-12-4-3-5-13-39)33(43)34(27)10-14-38(21-42)15-11-34/h6,9,16,19-22,24-26H,3-5,7-8,10-15,17-18H2,1-2H3,(H,36,37)
InChIKeyFKVMADXTYXQNJM-UHFFFAOYSA-N
MW581.77 g/mol
LogP5.11
Rot. Bonds7

About 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'-carbaldehyde

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'-carbaldehyde (PubChem CID 168881754) has the molecular formula C34H43N7O2 and a molecular weight of 581.77 g/mol. Its IUPAC name is 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'-carbaldehyde.

Molecular Properties

Compound Name6-[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'-carbaldehyde
PubChem CID168881754
Molecular FormulaC34H43N7O2
Molecular Weight581.77 g/mol
Exact Mass581.35
IUPAC Name6-[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'-carbaldehyde
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C=O)CC3)nc(NC3CC3)c21
InChIInChI=1S/C34H43N7O2/c1-22(2)40-20-35-29-19-28(37-32(31(29)40)36-24-7-8-24)23-6-9-27-30(16-23)41(26-17-25(18-26)39-12-4-3-5-13-39)33(43)34(27)10-14-38(21-42)15-11-34/h6,9,16,19-22,24-26H,3-5,7-8,10-15,17-18H2,1-2H3,(H,36,37)
InChIKeyFKVMADXTYXQNJM-UHFFFAOYSA-N
XLogP5.11
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.77
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbaldehyde?
The IUPAC name of 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'-carbaldehyde (CID 168881754) is 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'-carbaldehyde.
What is the SMILES notation for 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'-carbaldehyde?
The canonical SMILES for 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'-carbaldehyde is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C=O)CC3)nc(NC3CC3)c21.
What is the InChIKey of 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'-carbaldehyde?
The InChIKey is FKVMADXTYXQNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N7O2/c1-22(2)40-20-35-29-19-28(37-32(31(29)40)36-24-7-8-24)23-6-9-27-30(16-23)41(26-17-25(18-26)39-12-4-3-5-13-39)33(43)34(27)10-14-38(21-42)15-11-34/h6,9,16,19-22,24-26H,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]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbaldehyde?
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'-carbaldehyde has a molecular weight of 581.77 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 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]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbaldehyde is sourced from PubChem (CID 168881754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).