1'-[(1-methylimidazol-2-yl)methyl]-1-(6-pyrrol-1-yl-3-pyridinyl)spiro[indole-3,4'-piperidine]-2-one

C26H26N6O — CID 25173747

IUPAC1'-[(1-methylimidazol-2-yl)methyl]-1-(6-pyrrol-1-yl-3-pyridinyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCn1ccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-n3cccc3)nc1)c1ccccc12
InChIInChI=1S/C26H26N6O/c1-29-17-12-27-24(29)19-30-15-10-26(11-16-30)21-6-2-3-7-22(21)32(25(26)33)20-8-9-23(28-18-20)31-13-4-5-14-31/h2-9,12-14,17-18H,10-11,15-16,19H2,1H3
InChIKeyXMRQJDILDNJZQW-UHFFFAOYSA-N
MW438.54 g/mol
LogP3.82
Rot. Bonds4

About 1'-[(1-methylimidazol-2-yl)methyl]-1-(6-pyrrol-1-yl-3-pyridinyl)spiro[indole-3,4'-piperidine]-2-one

1'-[(1-methylimidazol-2-yl)methyl]-1-(6-pyrrol-1-yl-3-pyridinyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 25173747) has the molecular formula C26H26N6O and a molecular weight of 438.54 g/mol. Its IUPAC name is 1'-[(1-methylimidazol-2-yl)methyl]-1-(6-pyrrol-1-yl-3-pyridinyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(1-methylimidazol-2-yl)methyl]-1-(6-pyrrol-1-yl-3-pyridinyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID25173747
Molecular FormulaC26H26N6O
Molecular Weight438.54 g/mol
Exact Mass438.22
IUPAC Name1'-[(1-methylimidazol-2-yl)methyl]-1-(6-pyrrol-1-yl-3-pyridinyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCn1ccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-n3cccc3)nc1)c1ccccc12
InChIInChI=1S/C26H26N6O/c1-29-17-12-27-24(29)19-30-15-10-26(11-16-30)21-6-2-3-7-22(21)32(25(26)33)20-8-9-23(28-18-20)31-13-4-5-14-31/h2-9,12-14,17-18H,10-11,15-16,19H2,1H3
InChIKeyXMRQJDILDNJZQW-UHFFFAOYSA-N
XLogP3.82
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[(1-methylimidazol-2-yl)methyl]-1-(6-pyrrol-1-yl-3-pyridinyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(1-methylimidazol-2-yl)methyl]-1-(6-pyrrol-1-yl-3-pyridinyl)spiro[indole-3,4'-piperidine]-2-one (CID 25173747) is 1'-[(1-methylimidazol-2-yl)methyl]-1-(6-pyrrol-1-yl-3-pyridinyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(1-methylimidazol-2-yl)methyl]-1-(6-pyrrol-1-yl-3-pyridinyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(1-methylimidazol-2-yl)methyl]-1-(6-pyrrol-1-yl-3-pyridinyl)spiro[indole-3,4'-piperidine]-2-one is Cn1ccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-n3cccc3)nc1)c1ccccc12.
What is the InChIKey of 1'-[(1-methylimidazol-2-yl)methyl]-1-(6-pyrrol-1-yl-3-pyridinyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is XMRQJDILDNJZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O/c1-29-17-12-27-24(29)19-30-15-10-26(11-16-30)21-6-2-3-7-22(21)32(25(26)33)20-8-9-23(28-18-20)31-13-4-5-14-31/h2-9,12-14,17-18H,10-11,15-16,19H2,1H3.
What are the key properties of 1'-[(1-methylimidazol-2-yl)methyl]-1-(6-pyrrol-1-yl-3-pyridinyl)spiro[indole-3,4'-piperidine]-2-one?
1'-[(1-methylimidazol-2-yl)methyl]-1-(6-pyrrol-1-yl-3-pyridinyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 438.54 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(1-methylimidazol-2-yl)methyl]-1-(6-pyrrol-1-yl-3-pyridinyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 25173747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).