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

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

5-[2-[6-[2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 77399582) has the molecular formula C26H25N5O7 and a molecular weight of 519.51 g/mol. Its IUPAC name is 5-[2-[6-[2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name	5-[2-[6-[2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID	77399582
Molecular Formula	C26H25N5O7
Molecular Weight	519.51 g/mol
Exact Mass	519.18
IUPAC Name	5-[2-[6-[2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILES	COc1ccc2c(c1)C(=O)N(CC1(C#Cc3nc(N4C(=O)CCC4CO)ccc3OC)NC(=O)NC1=O)C2
InChI	InChI=1S/C26H25N5O7/c1-37-17-5-3-15-12-30(23(34)18(15)11-17)14-26(24(35)28-25(36)29-26)10-9-19-20(38-2)6-7-21(27-19)31-16(13-32)4-8-22(31)33/h3,5-7,11,16,32H,4,8,12-14H2,1-2H3,(H2,28,29,35,36)
InChIKey	CWPBQRYUCKYTPW-UHFFFAOYSA-N
XLogP	0.17
TPSA	150.40 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.51
LogP ≤ 5	0.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[2-[6-[2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of 5-[2-[6-[2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 77399582) is 5-[2-[6-[2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-[2-[6-[2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-[2-[6-[2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(C#Cc3nc(N4C(=O)CCC4CO)ccc3OC)NC(=O)NC1=O)C2.

What is the InChIKey of 5-[2-[6-[2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is CWPBQRYUCKYTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O7/c1-37-17-5-3-15-12-30(23(34)18(15)11-17)14-26(24(35)28-25(36)29-26)10-9-19-20(38-2)6-7-21(27-19)31-16(13-32)4-8-22(31)33/h3,5-7,11,16,32H,4,8,12-14H2,1-2H3,(H2,28,29,35,36).

What are the key properties of 5-[2-[6-[2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

5-[2-[6-[2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 519.51 g/mol, XLogP of 0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[6-[2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 77399582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).