5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione

C28H27N5O3 — CID 154833101

IUPAC5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C1=O
InChIInChI=1S/C28H27N5O3/c1-28(21-9-8-18-5-2-3-6-20(18)15-21)26(35)33(27(36)31-28)17-24(34)32-13-10-19(11-14-32)23-16-30-25-22(23)7-4-12-29-25/h2-9,12,15-16,19H,10-11,13-14,17H2,1H3,(H,29,30)(H,31,36)
InChIKeyTVOFJWKEPCHONK-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.89
Rot. Bonds4

About 5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione

5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 154833101) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is 5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID154833101
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC Name5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C1=O
InChIInChI=1S/C28H27N5O3/c1-28(21-9-8-18-5-2-3-6-20(18)15-21)26(35)33(27(36)31-28)17-24(34)32-13-10-19(11-14-32)23-16-30-25-22(23)7-4-12-29-25/h2-9,12,15-16,19H,10-11,13-14,17H2,1H3,(H,29,30)(H,31,36)
InChIKeyTVOFJWKEPCHONK-UHFFFAOYSA-N
XLogP3.89
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 154860165
(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 2526606
3-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 154834533
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 55342804
4-phenyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 60571114
N-cyclopentyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24537305
5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 42898015
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 41183201
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043
ethyl N-[1-[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-3-yl]carbamate
CID 167747837
3,5-dimethyl-N-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]benzamide
CID 55836947
(4-methoxyphenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749250

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 154833101) is 5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is CC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C1=O.
What is the InChIKey of 5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is TVOFJWKEPCHONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c1-28(21-9-8-18-5-2-3-6-20(18)15-21)26(35)33(27(36)31-28)17-24(34)32-13-10-19(11-14-32)23-16-30-25-22(23)7-4-12-29-25/h2-9,12,15-16,19H,10-11,13-14,17H2,1H3,(H,29,30)(H,31,36).
What are the key properties of 5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 481.56 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 154833101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).