1-[(3-methyl-2-pyridinyl)methyl]-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one

C30H28N4O — CID 44514766

IUPAC1-[(3-methyl-2-pyridinyl)methyl]-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one
SMILESCc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)c1cccnc12
InChIInChI=1S/C30H28N4O/c1-22-7-5-17-31-26(22)21-33-19-15-30(16-20-33)28-27(10-6-18-32-28)34(29(30)35)25-13-11-24(12-14-25)23-8-3-2-4-9-23/h2-14,17-18H,15-16,19-21H2,1H3
InChIKeyGUAQUNKDLJZDKS-UHFFFAOYSA-N
MW460.58 g/mol
LogP5.66
Rot. Bonds4

About 1-[(3-methyl-2-pyridinyl)methyl]-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one

1-[(3-methyl-2-pyridinyl)methyl]-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one (PubChem CID 44514766) 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-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one.

Molecular Properties

Compound Name1-[(3-methyl-2-pyridinyl)methyl]-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one
PubChem CID44514766
Molecular FormulaC30H28N4O
Molecular Weight460.58 g/mol
Exact Mass460.23
IUPAC Name1-[(3-methyl-2-pyridinyl)methyl]-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one
SMILESCc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)c1cccnc12
InChIInChI=1S/C30H28N4O/c1-22-7-5-17-31-26(22)21-33-19-15-30(16-20-33)28-27(10-6-18-32-28)34(29(30)35)25-13-11-24(12-14-25)23-8-3-2-4-9-23/h2-14,17-18H,15-16,19-21H2,1H3
InChIKeyGUAQUNKDLJZDKS-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-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one?
The IUPAC name of 1-[(3-methyl-2-pyridinyl)methyl]-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one (CID 44514766) is 1-[(3-methyl-2-pyridinyl)methyl]-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one.
What is the SMILES notation for 1-[(3-methyl-2-pyridinyl)methyl]-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one?
The canonical SMILES for 1-[(3-methyl-2-pyridinyl)methyl]-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one is Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)c1cccnc12.
What is the InChIKey of 1-[(3-methyl-2-pyridinyl)methyl]-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one?
The InChIKey is GUAQUNKDLJZDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O/c1-22-7-5-17-31-26(22)21-33-19-15-30(16-20-33)28-27(10-6-18-32-28)34(29(30)35)25-13-11-24(12-14-25)23-8-3-2-4-9-23/h2-14,17-18H,15-16,19-21H2,1H3.
What are the key properties of 1-[(3-methyl-2-pyridinyl)methyl]-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one?
1-[(3-methyl-2-pyridinyl)methyl]-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-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-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one is sourced from PubChem (CID 44514766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).