(1S,2R)-1-[2-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]ethyl]-2,3-dihydro-1H-inden-2-ol

C26H24N6O — CID 158065800

IUPAC(1S,2R)-1-[2-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]ethyl]-2,3-dihydro-1H-inden-2-ol
SMILESCc1cccc(-c2[nH]c(CC[C@H]3c4ccccc4C[C@H]3O)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C26H24N6O/c1-16-5-4-8-21(29-16)26-25(18-9-12-24-27-15-28-32(24)14-18)30-23(31-26)11-10-20-19-7-3-2-6-17(19)13-22(20)33/h2-9,12,14-15,20,22,33H,10-11,13H2,1H3,(H,30,31)/t20-,22+/m0/s1
InChIKeyHCDXONGSBBONOH-RBBKRZOGSA-N
MW436.52 g/mol
LogP4.12
Rot. Bonds5

About (1S,2R)-1-[2-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]ethyl]-2,3-dihydro-1H-inden-2-ol

(1S,2R)-1-[2-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]ethyl]-2,3-dihydro-1H-inden-2-ol (PubChem CID 158065800) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is (1S,2R)-1-[2-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]ethyl]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-[2-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]ethyl]-2,3-dihydro-1H-inden-2-ol
PubChem CID158065800
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name(1S,2R)-1-[2-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]ethyl]-2,3-dihydro-1H-inden-2-ol
SMILESCc1cccc(-c2[nH]c(CC[C@H]3c4ccccc4C[C@H]3O)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C26H24N6O/c1-16-5-4-8-21(29-16)26-25(18-9-12-24-27-15-28-32(24)14-18)30-23(31-26)11-10-20-19-7-3-2-6-17(19)13-22(20)33/h2-9,12,14-15,20,22,33H,10-11,13H2,1H3,(H,30,31)/t20-,22+/m0/s1
InChIKeyHCDXONGSBBONOH-RBBKRZOGSA-N
XLogP4.12
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1S,2R)-1-[2-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]ethyl]-2,3-dihydro-1H-inden-2-ol with MolForge

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Related Compounds

(1R,2S)-1-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2,3-dihydro-1H-inden-2-ol
CID 86765996
(3-(8-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)phenyl)methanol
CID 71451823
US10544143, Example 307
CID 138686828
(1S,2S)-1-(2,3-dimethyl-6-(1H-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-ylamino)-2,3-dihydro-1H-inden-2-ol
CID 44583664
(2R)-2-[[6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]amino]-2-phenylethanol
CID 164627904
[1-[6-[(6-Phenylimidazo[1,2-b]pyridazin-8-yl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 71525809
2-[8-(1H-imidazol-5-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethanol
CID 136215710
(1S,2R)-1-[[4-(4,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-3-yl)cyclohexyl]amino]-2,3-dihydro-1H-inden-2-ol
CID 136491580
(1R,2S)-1-[[4-(4,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-3-yl)cyclohexyl]amino]-2,3-dihydro-1H-inden-2-ol
CID 136980492
US10544143, Example 306
CID 138687034
[4-[[5-[3-(2,2-Difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexyl]methanol
CID 168218455
US10544143, Example 1046
CID 138686307

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-[2-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]ethyl]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1S,2R)-1-[2-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]ethyl]-2,3-dihydro-1H-inden-2-ol (CID 158065800) is (1S,2R)-1-[2-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]ethyl]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1S,2R)-1-[2-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]ethyl]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1S,2R)-1-[2-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]ethyl]-2,3-dihydro-1H-inden-2-ol is Cc1cccc(-c2[nH]c(CC[C@H]3c4ccccc4C[C@H]3O)nc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of (1S,2R)-1-[2-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]ethyl]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is HCDXONGSBBONOH-RBBKRZOGSA-N. The full InChI is InChI=1S/C26H24N6O/c1-16-5-4-8-21(29-16)26-25(18-9-12-24-27-15-28-32(24)14-18)30-23(31-26)11-10-20-19-7-3-2-6-17(19)13-22(20)33/h2-9,12,14-15,20,22,33H,10-11,13H2,1H3,(H,30,31)/t20-,22+/m0/s1.
What are the key properties of (1S,2R)-1-[2-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]ethyl]-2,3-dihydro-1H-inden-2-ol?
(1S,2R)-1-[2-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]ethyl]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 436.52 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-[2-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]ethyl]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 158065800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).