1'-[(3-methyl-2-pyridinyl)methyl]-2-oxo-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-5-carbonitrile

C32H28N4O — CID 25173824

IUPAC1'-[(3-methyl-2-pyridinyl)methyl]-2-oxo-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-5-carbonitrile
SMILESCc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)c1ccc(C#N)cc12
InChIInChI=1S/C32H28N4O/c1-23-6-5-17-34-29(23)22-35-18-15-32(16-19-35)28-20-24(21-33)9-14-30(28)36(31(32)37)27-12-10-26(11-13-27)25-7-3-2-4-8-25/h2-14,17,20H,15-16,18-19,22H2,1H3
InChIKeyBAYDQFVGXQKGNC-UHFFFAOYSA-N
MW484.60 g/mol
LogP6.14
Rot. Bonds4

About 1'-[(3-methyl-2-pyridinyl)methyl]-2-oxo-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-5-carbonitrile

1'-[(3-methyl-2-pyridinyl)methyl]-2-oxo-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-5-carbonitrile (PubChem CID 25173824) has the molecular formula C32H28N4O and a molecular weight of 484.60 g/mol. Its IUPAC name is 1'-[(3-methyl-2-pyridinyl)methyl]-2-oxo-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-5-carbonitrile.

Molecular Properties

Compound Name1'-[(3-methyl-2-pyridinyl)methyl]-2-oxo-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-5-carbonitrile
PubChem CID25173824
Molecular FormulaC32H28N4O
Molecular Weight484.60 g/mol
Exact Mass484.23
IUPAC Name1'-[(3-methyl-2-pyridinyl)methyl]-2-oxo-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-5-carbonitrile
SMILESCc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)c1ccc(C#N)cc12
InChIInChI=1S/C32H28N4O/c1-23-6-5-17-34-29(23)22-35-18-15-32(16-19-35)28-20-24(21-33)9-14-30(28)36(31(32)37)27-12-10-26(11-13-27)25-7-3-2-4-8-25/h2-14,17,20H,15-16,18-19,22H2,1H3
InChIKeyBAYDQFVGXQKGNC-UHFFFAOYSA-N
XLogP6.14
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 56.14
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]-2-oxo-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-5-carbonitrile?
The IUPAC name of 1'-[(3-methyl-2-pyridinyl)methyl]-2-oxo-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-5-carbonitrile (CID 25173824) is 1'-[(3-methyl-2-pyridinyl)methyl]-2-oxo-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-5-carbonitrile.
What is the SMILES notation for 1'-[(3-methyl-2-pyridinyl)methyl]-2-oxo-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-5-carbonitrile?
The canonical SMILES for 1'-[(3-methyl-2-pyridinyl)methyl]-2-oxo-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-5-carbonitrile is Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)c1ccc(C#N)cc12.
What is the InChIKey of 1'-[(3-methyl-2-pyridinyl)methyl]-2-oxo-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-5-carbonitrile?
The InChIKey is BAYDQFVGXQKGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O/c1-23-6-5-17-34-29(23)22-35-18-15-32(16-19-35)28-20-24(21-33)9-14-30(28)36(31(32)37)27-12-10-26(11-13-27)25-7-3-2-4-8-25/h2-14,17,20H,15-16,18-19,22H2,1H3.
What are the key properties of 1'-[(3-methyl-2-pyridinyl)methyl]-2-oxo-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-5-carbonitrile?
1'-[(3-methyl-2-pyridinyl)methyl]-2-oxo-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-5-carbonitrile has a molecular weight of 484.60 g/mol, XLogP of 6.14, 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]-2-oxo-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-5-carbonitrile is sourced from PubChem (CID 25173824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).