(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione

C23H18N6O5 — CID 46200599

IUPAC(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5cn[nH]c5)ccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C23H18N6O5/c1-33-14-3-2-12-10-29(20(30)15(12)6-14)11-23(21(31)27-22(32)28-23)19-7-17-18(34-19)5-4-16(26-17)13-8-24-25-9-13/h2-9H,10-11H2,1H3,(H,24,25)(H2,27,28,31,32)/t23-/m0/s1
InChIKeySQKGMFAHVGYXKZ-QHCPKHFHSA-N
MW458.43 g/mol
LogP1.92
Rot. Bonds5

About (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione

(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 46200599) has the molecular formula C23H18N6O5 and a molecular weight of 458.43 g/mol. Its IUPAC name is (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
PubChem CID46200599
Molecular FormulaC23H18N6O5
Molecular Weight458.43 g/mol
Exact Mass458.13
IUPAC Name(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5cn[nH]c5)ccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C23H18N6O5/c1-33-14-3-2-12-10-29(20(30)15(12)6-14)11-23(21(31)27-22(32)28-23)19-7-17-18(34-19)5-4-16(26-17)13-8-24-25-9-13/h2-9H,10-11H2,1H3,(H,24,25)(H2,27,28,31,32)/t23-/m0/s1
InChIKeySQKGMFAHVGYXKZ-QHCPKHFHSA-N
XLogP1.92
TPSA142.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.43
LogP ≤ 51.92
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 (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (CID 46200599) is (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5cn[nH]c5)ccc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
The InChIKey is SQKGMFAHVGYXKZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H18N6O5/c1-33-14-3-2-12-10-29(20(30)15(12)6-14)11-23(21(31)27-22(32)28-23)19-7-17-18(34-19)5-4-16(26-17)13-8-24-25-9-13/h2-9H,10-11H2,1H3,(H,24,25)(H2,27,28,31,32)/t23-/m0/s1.
What are the key properties of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 458.43 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 46200599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).