(1S,2R)-2-[2H-indazol-3-ylmethyl(methyl)amino]-2,3-dihydro-1H-inden-1-ol

C18H19N3O — CID 167906825

IUPAC(1S,2R)-2-[2H-indazol-3-ylmethyl(methyl)amino]-2,3-dihydro-1H-inden-1-ol
SMILESCN(Cc1[nH]nc2ccccc12)[C@@H]1Cc2ccccc2[C@@H]1O
InChIInChI=1S/C18H19N3O/c1-21(11-16-14-8-4-5-9-15(14)19-20-16)17-10-12-6-2-3-7-13(12)18(17)22/h2-9,17-18,22H,10-11H2,1H3,(H,19,20)/t17-,18+/m1/s1
InChIKeyBMIQWXFYONVMPW-MSOLQXFVSA-N
MW293.37 g/mol
LogP2.65
Rot. Bonds3

About (1S,2R)-2-[2H-indazol-3-ylmethyl(methyl)amino]-2,3-dihydro-1H-inden-1-ol

(1S,2R)-2-[2H-indazol-3-ylmethyl(methyl)amino]-2,3-dihydro-1H-inden-1-ol (PubChem CID 167906825) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is (1S,2R)-2-[2H-indazol-3-ylmethyl(methyl)amino]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-[2H-indazol-3-ylmethyl(methyl)amino]-2,3-dihydro-1H-inden-1-ol
PubChem CID167906825
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name(1S,2R)-2-[2H-indazol-3-ylmethyl(methyl)amino]-2,3-dihydro-1H-inden-1-ol
SMILESCN(Cc1[nH]nc2ccccc12)[C@@H]1Cc2ccccc2[C@@H]1O
InChIInChI=1S/C18H19N3O/c1-21(11-16-14-8-4-5-9-15(14)19-20-16)17-10-12-6-2-3-7-13(12)18(17)22/h2-9,17-18,22H,10-11H2,1H3,(H,19,20)/t17-,18+/m1/s1
InChIKeyBMIQWXFYONVMPW-MSOLQXFVSA-N
XLogP2.65
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-2-(diethylamino)-2,3-dihydro-1H-inden-1-ol
CID 131856725
(1S,2R)-2-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-2,3-dihydro-1H-inden-1-ol
CID 97335621
N-[2-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-methylamino]ethyl]methanesulfonamide
CID 97335641
(1S,2R)-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol
CID 100674335
2-[amino(methyl)amino]-2,3-dihydro-1H-inden-1-ol;butanedioic acid;sulfane
CID 158628530
3-ethyl-2H-indazole;molecular hydrogen
CID 156727025
(1S,2R)-2-[(3-aminophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-1-ol;2,2,2-trifluoroacetic acid
CID 167777974
2-(2H-indazol-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119552780
(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
(1R,2R)-2-[amino(methyl)amino]-2,3-dihydro-1H-inden-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 158123957
3-[[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-2H-indazole
CID 70693471
2H-indazol-3-ylmethyl acetate
CID 142092593

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-[2H-indazol-3-ylmethyl(methyl)amino]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,2R)-2-[2H-indazol-3-ylmethyl(methyl)amino]-2,3-dihydro-1H-inden-1-ol (CID 167906825) is (1S,2R)-2-[2H-indazol-3-ylmethyl(methyl)amino]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,2R)-2-[2H-indazol-3-ylmethyl(methyl)amino]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,2R)-2-[2H-indazol-3-ylmethyl(methyl)amino]-2,3-dihydro-1H-inden-1-ol is CN(Cc1[nH]nc2ccccc12)[C@@H]1Cc2ccccc2[C@@H]1O.
What is the InChIKey of (1S,2R)-2-[2H-indazol-3-ylmethyl(methyl)amino]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is BMIQWXFYONVMPW-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H19N3O/c1-21(11-16-14-8-4-5-9-15(14)19-20-16)17-10-12-6-2-3-7-13(12)18(17)22/h2-9,17-18,22H,10-11H2,1H3,(H,19,20)/t17-,18+/m1/s1.
What are the key properties of (1S,2R)-2-[2H-indazol-3-ylmethyl(methyl)amino]-2,3-dihydro-1H-inden-1-ol?
(1S,2R)-2-[2H-indazol-3-ylmethyl(methyl)amino]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 293.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-[2H-indazol-3-ylmethyl(methyl)amino]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 167906825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).