1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-pyridin-2-ylphenyl)spiro[indole-3,4'-piperidine]-2-one

C30H28N4O — CID 25173900

IUPAC1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-pyridin-2-ylphenyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccn3)cc1)c1ccccc12
InChIInChI=1S/C30H28N4O/c1-22-7-6-18-32-27(22)21-33-19-15-30(16-20-33)25-8-2-3-10-28(25)34(29(30)35)24-13-11-23(12-14-24)26-9-4-5-17-31-26/h2-14,17-18H,15-16,19-21H2,1H3
InChIKeyWLOOLBSHDWJCNX-UHFFFAOYSA-N
MW460.58 g/mol
LogP5.66
Rot. Bonds4

About 1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-pyridin-2-ylphenyl)spiro[indole-3,4'-piperidine]-2-one

1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-pyridin-2-ylphenyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 25173900) has the molecular formula C30H28N4O and a molecular weight of 460.58 g/mol. Its IUPAC name is 1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-pyridin-2-ylphenyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-pyridin-2-ylphenyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID25173900
Molecular FormulaC30H28N4O
Molecular Weight460.58 g/mol
Exact Mass460.23
IUPAC Name1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-pyridin-2-ylphenyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccn3)cc1)c1ccccc12
InChIInChI=1S/C30H28N4O/c1-22-7-6-18-32-27(22)21-33-19-15-30(16-20-33)25-8-2-3-10-28(25)34(29(30)35)24-13-11-23(12-14-24)26-9-4-5-17-31-26/h2-14,17-18H,15-16,19-21H2,1H3
InChIKeyWLOOLBSHDWJCNX-UHFFFAOYSA-N
XLogP5.66
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-pyridin-2-ylphenyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-pyridin-2-ylphenyl)spiro[indole-3,4'-piperidine]-2-one (CID 25173900) is 1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-pyridin-2-ylphenyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-pyridin-2-ylphenyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-pyridin-2-ylphenyl)spiro[indole-3,4'-piperidine]-2-one is Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccn3)cc1)c1ccccc12.
What is the InChIKey of 1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-pyridin-2-ylphenyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is WLOOLBSHDWJCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O/c1-22-7-6-18-32-27(22)21-33-19-15-30(16-20-33)25-8-2-3-10-28(25)34(29(30)35)24-13-11-23(12-14-24)26-9-4-5-17-31-26/h2-14,17-18H,15-16,19-21H2,1H3.
What are the key properties of 1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-pyridin-2-ylphenyl)spiro[indole-3,4'-piperidine]-2-one?
1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-pyridin-2-ylphenyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 460.58 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3-methyl-2-pyridinyl)methyl]-1-(4-pyridin-2-ylphenyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 25173900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).