3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione

C25H33N5O2 — CID 45174985

IUPAC3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCCn1cc(CN2CCC(C3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)c(C)n1
InChIInChI=1S/C25H33N5O2/c1-4-29-16-20(17(2)27-29)15-28-11-9-21(10-12-28)25(3)23(31)30(24(32)26-25)22-13-18-7-5-6-8-19(18)14-22/h5-8,16,21-22H,4,9-15H2,1-3H3,(H,26,32)
InChIKeyMYYJZHYLECPQPN-UHFFFAOYSA-N
MW435.57 g/mol
LogP2.90
Rot. Bonds5

About 3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione

3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 45174985) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
PubChem CID45174985
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCCn1cc(CN2CCC(C3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)c(C)n1
InChIInChI=1S/C25H33N5O2/c1-4-29-16-20(17(2)27-29)15-28-11-9-21(10-12-28)25(3)23(31)30(24(32)26-25)22-13-18-7-5-6-8-19(18)14-22/h5-8,16,21-22H,4,9-15H2,1-3H3,(H,26,32)
InChIKeyMYYJZHYLECPQPN-UHFFFAOYSA-N
XLogP2.90
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione (CID 45174985) is 3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione is CCn1cc(CN2CCC(C3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)c(C)n1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is MYYJZHYLECPQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-4-29-16-20(17(2)27-29)15-28-11-9-21(10-12-28)25(3)23(31)30(24(32)26-25)22-13-18-7-5-6-8-19(18)14-22/h5-8,16,21-22H,4,9-15H2,1-3H3,(H,26,32).
What are the key properties of 3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 435.57 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 45174985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).