(6S)-6-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-6-(5-pyridin-4-yl-1H-pyrano[4,3-c]pyridin-3-yl)-1,3-diazinane-2,4-dione

C27H23N5O5 — CID 143989560

IUPAC(6S)-6-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-6-(5-pyridin-4-yl-1H-pyrano[4,3-c]pyridin-3-yl)-1,3-diazinane-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@]1(C3=Cc4c(ccnc4-c4ccncc4)CO3)CC(=O)NC(=O)N1)C2
InChIInChI=1S/C27H23N5O5/c1-36-19-3-2-17-13-32(25(34)21(17)10-19)15-27(12-23(33)30-26(35)31-27)22-11-20-18(14-37-22)6-9-29-24(20)16-4-7-28-8-5-16/h2-11H,12-15H2,1H3,(H2,30,31,33,35)/t27-/m0/s1
InChIKeyZOIIUTKRTWKCHA-MHZLTWQESA-N
MW497.51 g/mol
LogP2.65
Rot. Bonds5

About (6S)-6-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-6-(5-pyridin-4-yl-1H-pyrano[4,3-c]pyridin-3-yl)-1,3-diazinane-2,4-dione

(6S)-6-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-6-(5-pyridin-4-yl-1H-pyrano[4,3-c]pyridin-3-yl)-1,3-diazinane-2,4-dione (PubChem CID 143989560) has the molecular formula C27H23N5O5 and a molecular weight of 497.51 g/mol. Its IUPAC name is (6S)-6-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-6-(5-pyridin-4-yl-1H-pyrano[4,3-c]pyridin-3-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(6S)-6-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-6-(5-pyridin-4-yl-1H-pyrano[4,3-c]pyridin-3-yl)-1,3-diazinane-2,4-dione
PubChem CID143989560
Molecular FormulaC27H23N5O5
Molecular Weight497.51 g/mol
Exact Mass497.17
IUPAC Name(6S)-6-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-6-(5-pyridin-4-yl-1H-pyrano[4,3-c]pyridin-3-yl)-1,3-diazinane-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@]1(C3=Cc4c(ccnc4-c4ccncc4)CO3)CC(=O)NC(=O)N1)C2
InChIInChI=1S/C27H23N5O5/c1-36-19-3-2-17-13-32(25(34)21(17)10-19)15-27(12-23(33)30-26(35)31-27)22-11-20-18(14-37-22)6-9-29-24(20)16-4-7-28-8-5-16/h2-11H,12-15H2,1H3,(H2,30,31,33,35)/t27-/m0/s1
InChIKeyZOIIUTKRTWKCHA-MHZLTWQESA-N
XLogP2.65
TPSA122.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.51
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (6S)-6-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-6-(5-pyridin-4-yl-1H-pyrano[4,3-c]pyridin-3-yl)-1,3-diazinane-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

5-ethylimidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one;5-pyridin-4-yl-1H-pyrano[4,3-c]pyridine
CID 143990083
(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-4-yl-1-benzofuran-2-yl)pyrrolidine-2,5-dione
CID 58053891
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-pyrazol-4-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione
CID 76680042
5-ethyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 75224389
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione
CID 24888848
(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione
CID 58053618
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(4-methoxy-3-pyridinyl)-1-benzofuran-2-yl]imidazolidine-2,4-dione
CID 70234895
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 46881522
2-(hydroxymethyl)-6-methoxy-3H-isoindol-1-one
CID 70313346
2-(iodomethyl)-6-methoxy-3H-isoindol-1-one
CID 70233754
(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1H-pyrazol-5-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione
CID 58053862
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)imidazolidine-2,4-dione
CID 71176706

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-6-(5-pyridin-4-yl-1H-pyrano[4,3-c]pyridin-3-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of (6S)-6-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-6-(5-pyridin-4-yl-1H-pyrano[4,3-c]pyridin-3-yl)-1,3-diazinane-2,4-dione (CID 143989560) is (6S)-6-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-6-(5-pyridin-4-yl-1H-pyrano[4,3-c]pyridin-3-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for (6S)-6-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-6-(5-pyridin-4-yl-1H-pyrano[4,3-c]pyridin-3-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for (6S)-6-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-6-(5-pyridin-4-yl-1H-pyrano[4,3-c]pyridin-3-yl)-1,3-diazinane-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@]1(C3=Cc4c(ccnc4-c4ccncc4)CO3)CC(=O)NC(=O)N1)C2.
What is the InChIKey of (6S)-6-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-6-(5-pyridin-4-yl-1H-pyrano[4,3-c]pyridin-3-yl)-1,3-diazinane-2,4-dione?
The InChIKey is ZOIIUTKRTWKCHA-MHZLTWQESA-N. The full InChI is InChI=1S/C27H23N5O5/c1-36-19-3-2-17-13-32(25(34)21(17)10-19)15-27(12-23(33)30-26(35)31-27)22-11-20-18(14-37-22)6-9-29-24(20)16-4-7-28-8-5-16/h2-11H,12-15H2,1H3,(H2,30,31,33,35)/t27-/m0/s1.
What are the key properties of (6S)-6-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-6-(5-pyridin-4-yl-1H-pyrano[4,3-c]pyridin-3-yl)-1,3-diazinane-2,4-dione?
(6S)-6-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-6-(5-pyridin-4-yl-1H-pyrano[4,3-c]pyridin-3-yl)-1,3-diazinane-2,4-dione has a molecular weight of 497.51 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-6-(5-pyridin-4-yl-1H-pyrano[4,3-c]pyridin-3-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 143989560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).