(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

C24H31N7O5S — CID 134535210

IUPAC(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
SMILESCOc1ccc2c(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](OC)c3ncc(C)cn3)n1[C@@H]([C@@H]1CCCCO1)C2
InChIInChI=1S/C24H31N7O5S/c1-14-12-25-22(26-13-14)21(35-4)15(2)37(32,33)30-24-29-28-23-20-16(8-9-19(27-20)34-3)11-17(31(23)24)18-7-5-6-10-36-18/h8-9,12-13,15,17-18,21H,5-7,10-11H2,1-4H3,(H,29,30)/t15-,17+,18-,21-/m0/s1
InChIKeyFMEURJCDCUPYQG-DKXUYOFUSA-N
MW529.62 g/mol
LogP2.63
Rot. Bonds8

About (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

(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 (PubChem CID 134535210) has the molecular formula C24H31N7O5S and a molecular weight of 529.62 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID134535210
Molecular FormulaC24H31N7O5S
Molecular Weight529.62 g/mol
Exact Mass529.21
IUPAC Name(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
SMILESCOc1ccc2c(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](OC)c3ncc(C)cn3)n1[C@@H]([C@@H]1CCCCO1)C2
InChIInChI=1S/C24H31N7O5S/c1-14-12-25-22(26-13-14)21(35-4)15(2)37(32,33)30-24-29-28-23-20-16(8-9-19(27-20)34-3)11-17(31(23)24)18-7-5-6-10-36-18/h8-9,12-13,15,17-18,21H,5-7,10-11H2,1-4H3,(H,29,30)/t15-,17+,18-,21-/m0/s1
InChIKeyFMEURJCDCUPYQG-DKXUYOFUSA-N
XLogP2.63
TPSA143.24 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.62
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze (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 with MolForge

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Related Compounds

(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
(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)-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
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
(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
(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-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
(1S,2S)-N-[5-(6-methoxy-2-pyridinyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
CID 134522868
(1R,2S)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
CID 122702201
(1R,2S)-1-(5-chloropyrimidin-2-yl)-N-[4-[(2R,6S)-2,6-dimethoxycyclohexyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide
CID 134523706
(1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-(2,2,3,3-tetradeuteriocyclopropyl)-1,2,4-triazol-3-yl]propane-2-sulfonamide
CID 142354062

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc2c(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](OC)c3ncc(C)cn3)n1[C@@H]([C@@H]1CCCCO1)C2.
What is the InChIKey of (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?
The InChIKey is FMEURJCDCUPYQG-DKXUYOFUSA-N. The full InChI is InChI=1S/C24H31N7O5S/c1-14-12-25-22(26-13-14)21(35-4)15(2)37(32,33)30-24-29-28-23-20-16(8-9-19(27-20)34-3)11-17(31(23)24)18-7-5-6-10-36-18/h8-9,12-13,15,17-18,21H,5-7,10-11H2,1-4H3,(H,29,30)/t15-,17+,18-,21-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 529.62 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 134535210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).