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

C25H23N7O — CID 139569369

IUPAC(1S,2R)-1-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1cccc(-c2[nH]c(CN[C@H]3c4ccccc4C[C@H]3O)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C25H23N7O/c1-15-5-4-8-19(29-15)25-23(17-9-10-22-27-14-28-32(22)13-17)30-21(31-25)12-26-24-18-7-3-2-6-16(18)11-20(24)33/h2-10,13-14,20,24,26,33H,11-12H2,1H3,(H,30,31)/t20-,24+/m1/s1
InChIKeyHRRMNFRJNYJKPV-YKSBVNFPSA-N
MW437.51 g/mol
LogP3.24
Rot. Bonds5

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

(1S,2R)-1-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 139569369) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is (1S,2R)-1-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3-dihydro-1H-inden-2-ol
PubChem CID139569369
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name(1S,2R)-1-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1cccc(-c2[nH]c(CN[C@H]3c4ccccc4C[C@H]3O)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C25H23N7O/c1-15-5-4-8-19(29-15)25-23(17-9-10-22-27-14-28-32(22)13-17)30-21(31-25)12-26-24-18-7-3-2-6-16(18)11-20(24)33/h2-10,13-14,20,24,26,33H,11-12H2,1H3,(H,30,31)/t20-,24+/m1/s1
InChIKeyHRRMNFRJNYJKPV-YKSBVNFPSA-N
XLogP3.24
TPSA104.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1S,2R)-1-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3-dihydro-1H-inden-2-ol (CID 139569369) is (1S,2R)-1-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1S,2R)-1-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1S,2R)-1-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3-dihydro-1H-inden-2-ol is Cc1cccc(-c2[nH]c(CN[C@H]3c4ccccc4C[C@H]3O)nc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of (1S,2R)-1-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is HRRMNFRJNYJKPV-YKSBVNFPSA-N. The full InChI is InChI=1S/C25H23N7O/c1-15-5-4-8-19(29-15)25-23(17-9-10-22-27-14-28-32(22)13-17)30-21(31-25)12-26-24-18-7-3-2-6-16(18)11-20(24)33/h2-10,13-14,20,24,26,33H,11-12H2,1H3,(H,30,31)/t20-,24+/m1/s1.
What are the key properties of (1S,2R)-1-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3-dihydro-1H-inden-2-ol?
(1S,2R)-1-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 437.51 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 139569369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).