1-[(2R,3R,4R)-4-(7-hydroxy-6-methoxyindazol-2-yl)-3,6-dimethyl-3,4-dihydro-2H-pyran-2-yl]propane-1,2,3-triol

C18H24N2O6 — CID 167596236

IUPAC1-[(2R,3R,4R)-4-(7-hydroxy-6-methoxyindazol-2-yl)-3,6-dimethyl-3,4-dihydro-2H-pyran-2-yl]propane-1,2,3-triol
SMILESCOc1ccc2cn([C@H]3C=C(C)O[C@@H](C(O)C(O)CO)[C@@H]3C)nc2c1O
InChIInChI=1S/C18H24N2O6/c1-9-6-12(10(2)18(26-9)16(23)13(22)8-21)20-7-11-4-5-14(25-3)17(24)15(11)19-20/h4-7,10,12-13,16,18,21-24H,8H2,1-3H3/t10-,12+,13?,16?,18-/m1/s1
InChIKeyKIMSELPKNVACKC-BOUOWSORSA-N
MW364.40 g/mol
LogP0.94
Rot. Bonds5

About 1-[(2R,3R,4R)-4-(7-hydroxy-6-methoxyindazol-2-yl)-3,6-dimethyl-3,4-dihydro-2H-pyran-2-yl]propane-1,2,3-triol

1-[(2R,3R,4R)-4-(7-hydroxy-6-methoxyindazol-2-yl)-3,6-dimethyl-3,4-dihydro-2H-pyran-2-yl]propane-1,2,3-triol (PubChem CID 167596236) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-[(2R,3R,4R)-4-(7-hydroxy-6-methoxyindazol-2-yl)-3,6-dimethyl-3,4-dihydro-2H-pyran-2-yl]propane-1,2,3-triol.

Molecular Properties

Compound Name1-[(2R,3R,4R)-4-(7-hydroxy-6-methoxyindazol-2-yl)-3,6-dimethyl-3,4-dihydro-2H-pyran-2-yl]propane-1,2,3-triol
PubChem CID167596236
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name1-[(2R,3R,4R)-4-(7-hydroxy-6-methoxyindazol-2-yl)-3,6-dimethyl-3,4-dihydro-2H-pyran-2-yl]propane-1,2,3-triol
SMILESCOc1ccc2cn([C@H]3C=C(C)O[C@@H](C(O)C(O)CO)[C@@H]3C)nc2c1O
InChIInChI=1S/C18H24N2O6/c1-9-6-12(10(2)18(26-9)16(23)13(22)8-21)20-7-11-4-5-14(25-3)17(24)15(11)19-20/h4-7,10,12-13,16,18,21-24H,8H2,1-3H3/t10-,12+,13?,16?,18-/m1/s1
InChIKeyKIMSELPKNVACKC-BOUOWSORSA-N
XLogP0.94
TPSA117.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-[(2R,3R,4R)-4-(7-hydroxy-6-methoxyindazol-2-yl)-3,6-dimethyl-3,4-dihydro-2H-pyran-2-yl]propane-1,2,3-triol with MolForge

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Launch Full Analysis

Related Compounds

ethane;6-methoxy-2-methylindazol-7-ol
CID 155591258
sodium (2R,3R,4R)-3-methyl-4-[4-(2-methylpropyl)triazol-1-yl]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 157238733
(2R,3R,4R)-4-[5-(methoxymethyl)triazol-1-yl]-3-methyl-2-[(1R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 131998063
methyl (2R,3R,4R)-4-azido-3-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 159911584
2-hydroxy-3-methoxy-6-(1,2,3-trihydroxypropyl)benzaldehyde
CID 170818456
methyl (2R,3R,4R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 161098517
2-[(2R,3R,4S)-6-carboxy-3-(2-methylpropanoylamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-4-yl]indazole-5-carboxylic acid
CID 164936574
3,6-dimethoxy-2-methylphenol
CID 13158257
silver 5-methoxy-2H-benzotriazol-4-ol
CID 135617169
bis(3-methoxy-6-methyl-2-pyridinyl)methanol
CID 101366814
methyl 3-(1-acetamidoethyl)-4-(methylamino)-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylate
CID 90995014
7-ethyl-2-[(8-hydroxy-7-methoxyquinolin-2-yl)methyl]quinolin-8-ol
CID 70973017

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R)-4-(7-hydroxy-6-methoxyindazol-2-yl)-3,6-dimethyl-3,4-dihydro-2H-pyran-2-yl]propane-1,2,3-triol?
The IUPAC name of 1-[(2R,3R,4R)-4-(7-hydroxy-6-methoxyindazol-2-yl)-3,6-dimethyl-3,4-dihydro-2H-pyran-2-yl]propane-1,2,3-triol (CID 167596236) is 1-[(2R,3R,4R)-4-(7-hydroxy-6-methoxyindazol-2-yl)-3,6-dimethyl-3,4-dihydro-2H-pyran-2-yl]propane-1,2,3-triol.
What is the SMILES notation for 1-[(2R,3R,4R)-4-(7-hydroxy-6-methoxyindazol-2-yl)-3,6-dimethyl-3,4-dihydro-2H-pyran-2-yl]propane-1,2,3-triol?
The canonical SMILES for 1-[(2R,3R,4R)-4-(7-hydroxy-6-methoxyindazol-2-yl)-3,6-dimethyl-3,4-dihydro-2H-pyran-2-yl]propane-1,2,3-triol is COc1ccc2cn([C@H]3C=C(C)O[C@@H](C(O)C(O)CO)[C@@H]3C)nc2c1O.
What is the InChIKey of 1-[(2R,3R,4R)-4-(7-hydroxy-6-methoxyindazol-2-yl)-3,6-dimethyl-3,4-dihydro-2H-pyran-2-yl]propane-1,2,3-triol?
The InChIKey is KIMSELPKNVACKC-BOUOWSORSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-9-6-12(10(2)18(26-9)16(23)13(22)8-21)20-7-11-4-5-14(25-3)17(24)15(11)19-20/h4-7,10,12-13,16,18,21-24H,8H2,1-3H3/t10-,12+,13?,16?,18-/m1/s1.
What are the key properties of 1-[(2R,3R,4R)-4-(7-hydroxy-6-methoxyindazol-2-yl)-3,6-dimethyl-3,4-dihydro-2H-pyran-2-yl]propane-1,2,3-triol?
1-[(2R,3R,4R)-4-(7-hydroxy-6-methoxyindazol-2-yl)-3,6-dimethyl-3,4-dihydro-2H-pyran-2-yl]propane-1,2,3-triol has a molecular weight of 364.40 g/mol, XLogP of 0.94, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R)-4-(7-hydroxy-6-methoxyindazol-2-yl)-3,6-dimethyl-3,4-dihydro-2H-pyran-2-yl]propane-1,2,3-triol is sourced from PubChem (CID 167596236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).