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

C26H25N7O — CID 139569282

IUPAC(1S,2S)-1-[methyl-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1cccc(-c2[nH]c(CN(C)[C@H]3c4ccccc4C[C@@H]3O)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C26H25N7O/c1-16-6-5-9-20(29-16)25-24(18-10-11-23-27-15-28-33(23)13-18)30-22(31-25)14-32(2)26-19-8-4-3-7-17(19)12-21(26)34/h3-11,13,15,21,26,34H,12,14H2,1-2H3,(H,30,31)/t21-,26-/m0/s1
InChIKeyHEDXHGAJZYKDTA-LVXARBLLSA-N
MW451.53 g/mol
LogP3.58
Rot. Bonds5

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

(1S,2S)-1-[methyl-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 139569282) has the molecular formula C26H25N7O and a molecular weight of 451.53 g/mol. Its IUPAC name is (1S,2S)-1-[methyl-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-[methyl-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]-2,3-dihydro-1H-inden-2-ol
PubChem CID139569282
Molecular FormulaC26H25N7O
Molecular Weight451.53 g/mol
Exact Mass451.21
IUPAC Name(1S,2S)-1-[methyl-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1cccc(-c2[nH]c(CN(C)[C@H]3c4ccccc4C[C@@H]3O)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C26H25N7O/c1-16-6-5-9-20(29-16)25-24(18-10-11-23-27-15-28-33(23)13-18)30-22(31-25)14-32(2)26-19-8-4-3-7-17(19)12-21(26)34/h3-11,13,15,21,26,34H,12,14H2,1-2H3,(H,30,31)/t21-,26-/m0/s1
InChIKeyHEDXHGAJZYKDTA-LVXARBLLSA-N
XLogP3.58
TPSA95.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-[methyl-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1S,2S)-1-[methyl-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]-2,3-dihydro-1H-inden-2-ol (CID 139569282) is (1S,2S)-1-[methyl-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1S,2S)-1-[methyl-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1S,2S)-1-[methyl-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]-2,3-dihydro-1H-inden-2-ol is Cc1cccc(-c2[nH]c(CN(C)[C@H]3c4ccccc4C[C@@H]3O)nc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of (1S,2S)-1-[methyl-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is HEDXHGAJZYKDTA-LVXARBLLSA-N. The full InChI is InChI=1S/C26H25N7O/c1-16-6-5-9-20(29-16)25-24(18-10-11-23-27-15-28-33(23)13-18)30-22(31-25)14-32(2)26-19-8-4-3-7-17(19)12-21(26)34/h3-11,13,15,21,26,34H,12,14H2,1-2H3,(H,30,31)/t21-,26-/m0/s1.
What are the key properties of (1S,2S)-1-[methyl-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]-2,3-dihydro-1H-inden-2-ol?
(1S,2S)-1-[methyl-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 451.53 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-[methyl-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 139569282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).