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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Zolpidem
CID 5732
Imidazopyridine 12a
CID 5329347
4-Tert-Butyl-N-[6-(1h-Imidazol-1-Yl)imidazo[1,2-A]pyridin-2-Yl]benzamide
CID 24944925
(3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one
CID 131964682
7-methyl-5-{1-[(3-methylphenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 53469629
US10513523, Example 74
CID 122655984
US10513523, Example 12
CID 122656023
US10513523, Example 32
CID 122656068
(3S)-1'-(cyclopropanecarbonyl)-5-[9-methyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]spiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 131964573
(3S)-1'-(cyclopropanecarbonyl)-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]spiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 131964980
1'-[[5-(Aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridine]-2'-one
CID 132016505
3-(1-methyl-1H-indol-3-yl)-4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327669

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).