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

C25H32N4O6S — CID 86299611

IUPAC5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-7-[3-(oxolan-3-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one
SMILESC[C@@H]1CN(S(C)(=O)=O)CCN1Cc1cc2c(=O)n(C)cc(-c3ccncc3OCC3CCOC3)c2o1
InChIInChI=1S/C25H32N4O6S/c1-17-12-29(36(3,31)32)8-7-28(17)13-19-10-21-24(35-19)22(14-27(2)25(21)30)20-4-6-26-11-23(20)34-16-18-5-9-33-15-18/h4,6,10-11,14,17-18H,5,7-9,12-13,15-16H2,1-3H3/t17-,18?/m1/s1
InChIKeyAEVIANLNHWLUML-QNSVNVJESA-N
MW516.62 g/mol
LogP2.07
Rot. Bonds7

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

5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-7-[3-(oxolan-3-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one (PubChem CID 86299611) has the molecular formula C25H32N4O6S and a molecular weight of 516.62 g/mol. Its IUPAC name is 5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-7-[3-(oxolan-3-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-7-[3-(oxolan-3-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one
PubChem CID86299611
Molecular FormulaC25H32N4O6S
Molecular Weight516.62 g/mol
Exact Mass516.20
IUPAC Name5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-7-[3-(oxolan-3-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one
SMILESC[C@@H]1CN(S(C)(=O)=O)CCN1Cc1cc2c(=O)n(C)cc(-c3ccncc3OCC3CCOC3)c2o1
InChIInChI=1S/C25H32N4O6S/c1-17-12-29(36(3,31)32)8-7-28(17)13-19-10-21-24(35-19)22(14-27(2)25(21)30)20-4-6-26-11-23(20)34-16-18-5-9-33-15-18/h4,6,10-11,14,17-18H,5,7-9,12-13,15-16H2,1-3H3/t17-,18?/m1/s1
InChIKeyAEVIANLNHWLUML-QNSVNVJESA-N
XLogP2.07
TPSA107.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.62
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-7-[3-(oxolan-3-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-7-[3-(oxolan-3-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one?
The IUPAC name of 5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-7-[3-(oxolan-3-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one (CID 86299611) is 5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-7-[3-(oxolan-3-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-7-[3-(oxolan-3-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one?
The canonical SMILES for 5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-7-[3-(oxolan-3-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one is C[C@@H]1CN(S(C)(=O)=O)CCN1Cc1cc2c(=O)n(C)cc(-c3ccncc3OCC3CCOC3)c2o1.
What is the InChIKey of 5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-7-[3-(oxolan-3-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one?
The InChIKey is AEVIANLNHWLUML-QNSVNVJESA-N. The full InChI is InChI=1S/C25H32N4O6S/c1-17-12-29(36(3,31)32)8-7-28(17)13-19-10-21-24(35-19)22(14-27(2)25(21)30)20-4-6-26-11-23(20)34-16-18-5-9-33-15-18/h4,6,10-11,14,17-18H,5,7-9,12-13,15-16H2,1-3H3/t17-,18?/m1/s1.
What are the key properties of 5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-7-[3-(oxolan-3-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one?
5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-7-[3-(oxolan-3-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one has a molecular weight of 516.62 g/mol, XLogP of 2.07, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-7-[3-(oxolan-3-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one is sourced from PubChem (CID 86299611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).