7-(3-hydroxy-4-pyridinyl)-5-methyl-2-[(2-methyl-4-methylsulfonylpiperazin-1-yl)methyl]furo[3,2-c]pyridin-4-one

C20H24N4O5S — CID 118662530

IUPAC7-(3-hydroxy-4-pyridinyl)-5-methyl-2-[(2-methyl-4-methylsulfonylpiperazin-1-yl)methyl]furo[3,2-c]pyridin-4-one
SMILESCC1CN(S(C)(=O)=O)CCN1Cc1cc2c(=O)n(C)cc(-c3ccncc3O)c2o1
InChIInChI=1S/C20H24N4O5S/c1-13-10-24(30(3,27)28)7-6-23(13)11-14-8-16-19(29-14)17(12-22(2)20(16)26)15-4-5-21-9-18(15)25/h4-5,8-9,12-13,25H,6-7,10-11H2,1-3H3
InChIKeyPSNZFFGOHFCPKC-UHFFFAOYSA-N
MW432.50 g/mol
LogP1.36
Rot. Bonds4

About 7-(3-hydroxy-4-pyridinyl)-5-methyl-2-[(2-methyl-4-methylsulfonylpiperazin-1-yl)methyl]furo[3,2-c]pyridin-4-one

7-(3-hydroxy-4-pyridinyl)-5-methyl-2-[(2-methyl-4-methylsulfonylpiperazin-1-yl)methyl]furo[3,2-c]pyridin-4-one (PubChem CID 118662530) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is 7-(3-hydroxy-4-pyridinyl)-5-methyl-2-[(2-methyl-4-methylsulfonylpiperazin-1-yl)methyl]furo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-(3-hydroxy-4-pyridinyl)-5-methyl-2-[(2-methyl-4-methylsulfonylpiperazin-1-yl)methyl]furo[3,2-c]pyridin-4-one
PubChem CID118662530
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC Name7-(3-hydroxy-4-pyridinyl)-5-methyl-2-[(2-methyl-4-methylsulfonylpiperazin-1-yl)methyl]furo[3,2-c]pyridin-4-one
SMILESCC1CN(S(C)(=O)=O)CCN1Cc1cc2c(=O)n(C)cc(-c3ccncc3O)c2o1
InChIInChI=1S/C20H24N4O5S/c1-13-10-24(30(3,27)28)7-6-23(13)11-14-8-16-19(29-14)17(12-22(2)20(16)26)15-4-5-21-9-18(15)25/h4-5,8-9,12-13,25H,6-7,10-11H2,1-3H3
InChIKeyPSNZFFGOHFCPKC-UHFFFAOYSA-N
XLogP1.36
TPSA108.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(3-hydroxy-4-pyridinyl)-5-methyl-2-[(2-methyl-4-methylsulfonylpiperazin-1-yl)methyl]furo[3,2-c]pyridin-4-one?
The IUPAC name of 7-(3-hydroxy-4-pyridinyl)-5-methyl-2-[(2-methyl-4-methylsulfonylpiperazin-1-yl)methyl]furo[3,2-c]pyridin-4-one (CID 118662530) is 7-(3-hydroxy-4-pyridinyl)-5-methyl-2-[(2-methyl-4-methylsulfonylpiperazin-1-yl)methyl]furo[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-(3-hydroxy-4-pyridinyl)-5-methyl-2-[(2-methyl-4-methylsulfonylpiperazin-1-yl)methyl]furo[3,2-c]pyridin-4-one?
The canonical SMILES for 7-(3-hydroxy-4-pyridinyl)-5-methyl-2-[(2-methyl-4-methylsulfonylpiperazin-1-yl)methyl]furo[3,2-c]pyridin-4-one is CC1CN(S(C)(=O)=O)CCN1Cc1cc2c(=O)n(C)cc(-c3ccncc3O)c2o1.
What is the InChIKey of 7-(3-hydroxy-4-pyridinyl)-5-methyl-2-[(2-methyl-4-methylsulfonylpiperazin-1-yl)methyl]furo[3,2-c]pyridin-4-one?
The InChIKey is PSNZFFGOHFCPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-13-10-24(30(3,27)28)7-6-23(13)11-14-8-16-19(29-14)17(12-22(2)20(16)26)15-4-5-21-9-18(15)25/h4-5,8-9,12-13,25H,6-7,10-11H2,1-3H3.
What are the key properties of 7-(3-hydroxy-4-pyridinyl)-5-methyl-2-[(2-methyl-4-methylsulfonylpiperazin-1-yl)methyl]furo[3,2-c]pyridin-4-one?
7-(3-hydroxy-4-pyridinyl)-5-methyl-2-[(2-methyl-4-methylsulfonylpiperazin-1-yl)methyl]furo[3,2-c]pyridin-4-one has a molecular weight of 432.50 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-hydroxy-4-pyridinyl)-5-methyl-2-[(2-methyl-4-methylsulfonylpiperazin-1-yl)methyl]furo[3,2-c]pyridin-4-one is sourced from PubChem (CID 118662530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).