[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-yl-1H-imidazol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

C28H32N6O2 — CID 135543030

IUPAC[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-yl-1H-imidazol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1nc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)[nH]1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C28H32N6O2/c35-28(34-16-10-22(11-17-34)33-14-2-1-3-15-33)27-30-25(19-8-12-29-13-9-19)26(31-27)21-4-6-23-20(18-21)5-7-24(23)32-36/h4,6,8-9,12-13,18,22,36H,1-3,5,7,10-11,14-17H2,(H,30,31)/b32-24+
InChIKeyLAFKSSCWNLEYNP-FEZSWGLMSA-N
MW484.60 g/mol
LogP4.35
Rot. Bonds4

About [4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-yl-1H-imidazol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-yl-1H-imidazol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 135543030) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is [4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-yl-1H-imidazol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-yl-1H-imidazol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID135543030
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC Name[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-yl-1H-imidazol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1nc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)[nH]1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C28H32N6O2/c35-28(34-16-10-22(11-17-34)33-14-2-1-3-15-33)27-30-25(19-8-12-29-13-9-19)26(31-27)21-4-6-23-20(18-21)5-7-24(23)32-36/h4,6,8-9,12-13,18,22,36H,1-3,5,7,10-11,14-17H2,(H,30,31)/b32-24+
InChIKeyLAFKSSCWNLEYNP-FEZSWGLMSA-N
XLogP4.35
TPSA97.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-cyclohexylpiperazin-1-yl)-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-yl-1H-imidazol-2-yl]methanone
CID 135469622
N-[5-(2-pyridin-3-yl-5-pyridin-4-yl-1H-imidazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 136597687
N-[5-[2-[2-(dimethylamino)ethoxy]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 154035419
(4-amino-2-pyridinyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 62160832
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
N'-hydroxy-2-[3-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-yl]piperidin-1-yl]ethanimidamide
CID 136635970
[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 95729066
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
[2-methyl-5-(4-methylphenyl)-1H-pyrrol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46389328
2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]cyclohexyl]oxypiperidin-1-yl]isoindole-1,3-dione
CID 175335666
(3-fluoro-4-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115646457
[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110667059

Frequently Asked Questions

What is the IUPAC name of [4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-yl-1H-imidazol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-yl-1H-imidazol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 135543030) is [4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-yl-1H-imidazol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-yl-1H-imidazol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-yl-1H-imidazol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is O=C(c1nc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)[nH]1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of [4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-yl-1H-imidazol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is LAFKSSCWNLEYNP-FEZSWGLMSA-N. The full InChI is InChI=1S/C28H32N6O2/c35-28(34-16-10-22(11-17-34)33-14-2-1-3-15-33)27-30-25(19-8-12-29-13-9-19)26(31-27)21-4-6-23-20(18-21)5-7-24(23)32-36/h4,6,8-9,12-13,18,22,36H,1-3,5,7,10-11,14-17H2,(H,30,31)/b32-24+.
What are the key properties of [4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-yl-1H-imidazol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-yl-1H-imidazol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 484.60 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-yl-1H-imidazol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 135543030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).