N-[2-methoxy-5-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]-5,7-dihydrofuro[3,4-b]pyridin-2-yl]-3-pyridinyl]methanesulfonamide

C20H26N4O6S — CID 155517442

IUPACN-[2-methoxy-5-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]-5,7-dihydrofuro[3,4-b]pyridin-2-yl]-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2cc(OC[C@H]3CN(C)CCO3)c3c(n2)COC3)cc1NS(C)(=O)=O
InChIInChI=1S/C20H26N4O6S/c1-24-4-5-29-14(9-24)10-30-19-7-16(22-18-12-28-11-15(18)19)13-6-17(23-31(3,25)26)20(27-2)21-8-13/h6-8,14,23H,4-5,9-12H2,1-3H3/t14-/m1/s1
InChIKeyCAGHFBUEKMPCBS-CQSZACIVSA-N
MW450.52 g/mol
LogP1.26
Rot. Bonds7

About N-[2-methoxy-5-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]-5,7-dihydrofuro[3,4-b]pyridin-2-yl]-3-pyridinyl]methanesulfonamide

N-[2-methoxy-5-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]-5,7-dihydrofuro[3,4-b]pyridin-2-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 155517442) has the molecular formula C20H26N4O6S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-[2-methoxy-5-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]-5,7-dihydrofuro[3,4-b]pyridin-2-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]-5,7-dihydrofuro[3,4-b]pyridin-2-yl]-3-pyridinyl]methanesulfonamide
PubChem CID155517442
Molecular FormulaC20H26N4O6S
Molecular Weight450.52 g/mol
Exact Mass450.16
IUPAC NameN-[2-methoxy-5-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]-5,7-dihydrofuro[3,4-b]pyridin-2-yl]-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2cc(OC[C@H]3CN(C)CCO3)c3c(n2)COC3)cc1NS(C)(=O)=O
InChIInChI=1S/C20H26N4O6S/c1-24-4-5-29-14(9-24)10-30-19-7-16(22-18-12-28-11-15(18)19)13-6-17(23-31(3,25)26)20(27-2)21-8-13/h6-8,14,23H,4-5,9-12H2,1-3H3/t14-/m1/s1
InChIKeyCAGHFBUEKMPCBS-CQSZACIVSA-N
XLogP1.26
TPSA112.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-methoxy-5-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]-5,7-dihydrofuro[3,4-b]pyridin-2-yl]-3-pyridinyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]-5,7-dihydrofuro[3,4-b]pyridin-2-yl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[2-methoxy-5-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]-5,7-dihydrofuro[3,4-b]pyridin-2-yl]-3-pyridinyl]methanesulfonamide (CID 155517442) is N-[2-methoxy-5-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]-5,7-dihydrofuro[3,4-b]pyridin-2-yl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]-5,7-dihydrofuro[3,4-b]pyridin-2-yl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[2-methoxy-5-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]-5,7-dihydrofuro[3,4-b]pyridin-2-yl]-3-pyridinyl]methanesulfonamide is COc1ncc(-c2cc(OC[C@H]3CN(C)CCO3)c3c(n2)COC3)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-methoxy-5-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]-5,7-dihydrofuro[3,4-b]pyridin-2-yl]-3-pyridinyl]methanesulfonamide?
The InChIKey is CAGHFBUEKMPCBS-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N4O6S/c1-24-4-5-29-14(9-24)10-30-19-7-16(22-18-12-28-11-15(18)19)13-6-17(23-31(3,25)26)20(27-2)21-8-13/h6-8,14,23H,4-5,9-12H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[2-methoxy-5-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]-5,7-dihydrofuro[3,4-b]pyridin-2-yl]-3-pyridinyl]methanesulfonamide?
N-[2-methoxy-5-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]-5,7-dihydrofuro[3,4-b]pyridin-2-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 450.52 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]-5,7-dihydrofuro[3,4-b]pyridin-2-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 155517442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).