2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide

C21H17N5O6 — CID 58053183

IUPAC2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(C(N)=O)nccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C21H17N5O6/c1-31-11-3-2-10-8-26(18(28)12(10)6-11)9-21(19(29)24-20(30)25-21)15-7-13-14(32-15)4-5-23-16(13)17(22)27/h2-7H,8-9H2,1H3,(H2,22,27)(H2,24,25,29,30)/t21-/m0/s1
InChIKeyNHSHEVCKUINEOK-NRFANRHFSA-N
MW435.40 g/mol
LogP0.63
Rot. Bonds5

About 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide

2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide (PubChem CID 58053183) has the molecular formula C21H17N5O6 and a molecular weight of 435.40 g/mol. Its IUPAC name is 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide
PubChem CID58053183
Molecular FormulaC21H17N5O6
Molecular Weight435.40 g/mol
Exact Mass435.12
IUPAC Name2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(C(N)=O)nccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C21H17N5O6/c1-31-11-3-2-10-8-26(18(28)12(10)6-11)9-21(19(29)24-20(30)25-21)15-7-13-14(32-15)4-5-23-16(13)17(22)27/h2-7H,8-9H2,1H3,(H2,22,27)(H2,24,25,29,30)/t21-/m0/s1
InChIKeyNHSHEVCKUINEOK-NRFANRHFSA-N
XLogP0.63
TPSA156.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide?
The IUPAC name of 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide (CID 58053183) is 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide?
The canonical SMILES for 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(C(N)=O)nccc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide?
The InChIKey is NHSHEVCKUINEOK-NRFANRHFSA-N. The full InChI is InChI=1S/C21H17N5O6/c1-31-11-3-2-10-8-26(18(28)12(10)6-11)9-21(19(29)24-20(30)25-21)15-7-13-14(32-15)4-5-23-16(13)17(22)27/h2-7H,8-9H2,1H3,(H2,22,27)(H2,24,25,29,30)/t21-/m0/s1.
What are the key properties of 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide?
2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide has a molecular weight of 435.40 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide is sourced from PubChem (CID 58053183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).