(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione

C26H27N5O4 — CID 46200889

IUPAC(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C4CCN(C)CC4)nc3)NC(=O)NC1=O)C2
InChIInChI=1S/C26H27N5O4/c1-30-11-8-18(9-12-30)22-6-3-17(14-27-22)7-10-26(24(33)28-25(34)29-26)16-31-15-19-4-5-20(35-2)13-21(19)23(31)32/h3-6,13-14,18H,8-9,11-12,15-16H2,1-2H3,(H2,28,29,33,34)/t26-/m1/s1
InChIKeyOYOALWYHSLCCJW-AREMUKBSSA-N
MW473.53 g/mol
LogP1.49
Rot. Bonds4

About (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione

(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione (PubChem CID 46200889) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
PubChem CID46200889
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C4CCN(C)CC4)nc3)NC(=O)NC1=O)C2
InChIInChI=1S/C26H27N5O4/c1-30-11-8-18(9-12-30)22-6-3-17(14-27-22)7-10-26(24(33)28-25(34)29-26)16-31-15-19-4-5-20(35-2)13-21(19)23(31)32/h3-6,13-14,18H,8-9,11-12,15-16H2,1-2H3,(H2,28,29,33,34)/t26-/m1/s1
InChIKeyOYOALWYHSLCCJW-AREMUKBSSA-N
XLogP1.49
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione (CID 46200889) is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C4CCN(C)CC4)nc3)NC(=O)NC1=O)C2.
What is the InChIKey of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
The InChIKey is OYOALWYHSLCCJW-AREMUKBSSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-30-11-8-18(9-12-30)22-6-3-17(14-27-22)7-10-26(24(33)28-25(34)29-26)16-31-15-19-4-5-20(35-2)13-21(19)23(31)32/h3-6,13-14,18H,8-9,11-12,15-16H2,1-2H3,(H2,28,29,33,34)/t26-/m1/s1.
What are the key properties of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione has a molecular weight of 473.53 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46200889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).