(1R,2S)-1-methoxy-N-[(5R)-7-methyl-5-[(2R)-oxan-2-yl]-5,6-dihydro-[1,2,4]triazolo[3,4-a][2,7]naphthyridin-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide

C24H31N7O4S — CID 134535089

IUPAC(1R,2S)-1-methoxy-N-[(5R)-7-methyl-5-[(2R)-oxan-2-yl]-5,6-dihydro-[1,2,4]triazolo[3,4-a][2,7]naphthyridin-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
SMILESCO[C@H](c1ncc(C)cn1)[C@H](C)S(=O)(=O)Nc1nnc2n1[C@@H]([C@H]1CCCCO1)Cc1c(C)cncc1-2
InChIInChI=1S/C24H31N7O4S/c1-14-10-26-22(27-11-14)21(34-4)16(3)36(32,33)30-24-29-28-23-18-13-25-12-15(2)17(18)9-19(31(23)24)20-7-5-6-8-35-20/h10-13,16,19-21H,5-9H2,1-4H3,(H,29,30)/t16-,19+,20+,21-/m0/s1
InChIKeyJUDRXTNAORQCGC-ZXNZYJFHSA-N
MW513.62 g/mol
LogP2.93
Rot. Bonds7

About (1R,2S)-1-methoxy-N-[(5R)-7-methyl-5-[(2R)-oxan-2-yl]-5,6-dihydro-[1,2,4]triazolo[3,4-a][2,7]naphthyridin-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide

(1R,2S)-1-methoxy-N-[(5R)-7-methyl-5-[(2R)-oxan-2-yl]-5,6-dihydro-[1,2,4]triazolo[3,4-a][2,7]naphthyridin-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide (PubChem CID 134535089) has the molecular formula C24H31N7O4S and a molecular weight of 513.62 g/mol. Its IUPAC name is (1R,2S)-1-methoxy-N-[(5R)-7-methyl-5-[(2R)-oxan-2-yl]-5,6-dihydro-[1,2,4]triazolo[3,4-a][2,7]naphthyridin-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name(1R,2S)-1-methoxy-N-[(5R)-7-methyl-5-[(2R)-oxan-2-yl]-5,6-dihydro-[1,2,4]triazolo[3,4-a][2,7]naphthyridin-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
PubChem CID134535089
Molecular FormulaC24H31N7O4S
Molecular Weight513.62 g/mol
Exact Mass513.22
IUPAC Name(1R,2S)-1-methoxy-N-[(5R)-7-methyl-5-[(2R)-oxan-2-yl]-5,6-dihydro-[1,2,4]triazolo[3,4-a][2,7]naphthyridin-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
SMILESCO[C@H](c1ncc(C)cn1)[C@H](C)S(=O)(=O)Nc1nnc2n1[C@@H]([C@H]1CCCCO1)Cc1c(C)cncc1-2
InChIInChI=1S/C24H31N7O4S/c1-14-10-26-22(27-11-14)21(34-4)16(3)36(32,33)30-24-29-28-23-18-13-25-12-15(2)17(18)9-19(31(23)24)20-7-5-6-8-35-20/h10-13,16,19-21H,5-9H2,1-4H3,(H,29,30)/t16-,19+,20+,21-/m0/s1
InChIKeyJUDRXTNAORQCGC-ZXNZYJFHSA-N
XLogP2.93
TPSA134.01 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.62
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (1R,2S)-1-methoxy-N-[(5R)-7-methyl-5-[(2R)-oxan-2-yl]-5,6-dihydro-[1,2,4]triazolo[3,4-a][2,7]naphthyridin-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide with MolForge

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Related Compounds

(1R,2S)-1-methoxy-N-[(5R)-9-methoxy-5-[(2S)-oxan-2-yl]-5,6-dihydro-[1,2,4]triazolo[4,3-h][1,7]naphthyridin-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
CID 134535210
(1R,2S)-1-methoxy-N-[5-(5-methyl-3-pyridinyl)-4-[(1R)-1-(oxan-2-yl)propyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
CID 134522984
(1R,2S)-1-(5-chloropyrimidin-2-yl)-N-[4-cyclobutyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide
CID 134535213
(1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-[(1S,2S)-2-methylcyclohexyl]-1,2,4-triazol-3-yl]propane-2-sulfonamide
CID 134523260
(1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-[[(2S)-oxan-2-yl]methyl]-1,2,4-triazol-3-yl]propane-2-sulfonamide
CID 134522547
(1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-[(1R)-1-[(2S)-oxan-2-yl]ethyl]-1,2,4-triazol-3-yl]propane-2-sulfonamide
CID 134523025
(1R,2S)-N-[(5S)-10-fluoro-5-(methoxymethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzoxazepin-3-yl]-1-methoxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
CID 142580089
(1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(5-methyl-3-pyridinyl)-4-[(2S)-spiro[2.2]pentan-2-yl]-1,2,4-triazol-3-yl]propane-2-sulfonamide
CID 134523311
1-(5-chloropyrimidin-2-yl)-N-[4-cyclohexyl-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide
CID 134522560
1-(5-methylpyrimidin-2-yl)-N-[4-(oxan-4-yl)-5-phenyl-1,2,4-triazol-3-yl]-1-propan-2-yloxypropane-2-sulfonamide
CID 134523469
(1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]propane-2-sulfonamide
CID 134522788
(1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propane-2-sulfonamide
CID 134522793

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-methoxy-N-[(5R)-7-methyl-5-[(2R)-oxan-2-yl]-5,6-dihydro-[1,2,4]triazolo[3,4-a][2,7]naphthyridin-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?
The IUPAC name of (1R,2S)-1-methoxy-N-[(5R)-7-methyl-5-[(2R)-oxan-2-yl]-5,6-dihydro-[1,2,4]triazolo[3,4-a][2,7]naphthyridin-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide (CID 134535089) is (1R,2S)-1-methoxy-N-[(5R)-7-methyl-5-[(2R)-oxan-2-yl]-5,6-dihydro-[1,2,4]triazolo[3,4-a][2,7]naphthyridin-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide.
What is the SMILES notation for (1R,2S)-1-methoxy-N-[(5R)-7-methyl-5-[(2R)-oxan-2-yl]-5,6-dihydro-[1,2,4]triazolo[3,4-a][2,7]naphthyridin-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?
The canonical SMILES for (1R,2S)-1-methoxy-N-[(5R)-7-methyl-5-[(2R)-oxan-2-yl]-5,6-dihydro-[1,2,4]triazolo[3,4-a][2,7]naphthyridin-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide is CO[C@H](c1ncc(C)cn1)[C@H](C)S(=O)(=O)Nc1nnc2n1[C@@H]([C@H]1CCCCO1)Cc1c(C)cncc1-2.
What is the InChIKey of (1R,2S)-1-methoxy-N-[(5R)-7-methyl-5-[(2R)-oxan-2-yl]-5,6-dihydro-[1,2,4]triazolo[3,4-a][2,7]naphthyridin-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?
The InChIKey is JUDRXTNAORQCGC-ZXNZYJFHSA-N. The full InChI is InChI=1S/C24H31N7O4S/c1-14-10-26-22(27-11-14)21(34-4)16(3)36(32,33)30-24-29-28-23-18-13-25-12-15(2)17(18)9-19(31(23)24)20-7-5-6-8-35-20/h10-13,16,19-21H,5-9H2,1-4H3,(H,29,30)/t16-,19+,20+,21-/m0/s1.
What are the key properties of (1R,2S)-1-methoxy-N-[(5R)-7-methyl-5-[(2R)-oxan-2-yl]-5,6-dihydro-[1,2,4]triazolo[3,4-a][2,7]naphthyridin-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide?
(1R,2S)-1-methoxy-N-[(5R)-7-methyl-5-[(2R)-oxan-2-yl]-5,6-dihydro-[1,2,4]triazolo[3,4-a][2,7]naphthyridin-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide has a molecular weight of 513.62 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-methoxy-N-[(5R)-7-methyl-5-[(2R)-oxan-2-yl]-5,6-dihydro-[1,2,4]triazolo[3,4-a][2,7]naphthyridin-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 134535089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).