2-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-methylamino]ethanol

C26H34N6O2 — CID 138686680

IUPAC2-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-methylamino]ethanol
SMILESCOc1cc(-c2[nH]c3ccc(C4CCC(N(C)CCO)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H34N6O2/c1-16(2)23-24(18-13-22(34-4)26-27-15-28-32(26)14-18)30-21-10-9-20(29-25(21)23)17-5-7-19(8-6-17)31(3)11-12-33/h9-10,13-17,19,30,33H,5-8,11-12H2,1-4H3
InChIKeyYLSDXFZUOQNOKO-UHFFFAOYSA-N
MW462.60 g/mol
LogP4.35
Rot. Bonds7

About 2-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-methylamino]ethanol

2-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-methylamino]ethanol (PubChem CID 138686680) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 2-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-methylamino]ethanol
PubChem CID138686680
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name2-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-methylamino]ethanol
SMILESCOc1cc(-c2[nH]c3ccc(C4CCC(N(C)CCO)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H34N6O2/c1-16(2)23-24(18-13-22(34-4)26-27-15-28-32(26)14-18)30-21-10-9-20(29-25(21)23)17-5-7-19(8-6-17)31(3)11-12-33/h9-10,13-17,19,30,33H,5-8,11-12H2,1-4H3
InChIKeyYLSDXFZUOQNOKO-UHFFFAOYSA-N
XLogP4.35
TPSA91.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-methylamino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-methylamino]ethanol?
The IUPAC name of 2-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-methylamino]ethanol (CID 138686680) is 2-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-methylamino]ethanol?
The canonical SMILES for 2-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-methylamino]ethanol is COc1cc(-c2[nH]c3ccc(C4CCC(N(C)CCO)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 2-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-methylamino]ethanol?
The InChIKey is YLSDXFZUOQNOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-16(2)23-24(18-13-22(34-4)26-27-15-28-32(26)14-18)30-21-10-9-20(29-25(21)23)17-5-7-19(8-6-17)31(3)11-12-33/h9-10,13-17,19,30,33H,5-8,11-12H2,1-4H3.
What are the key properties of 2-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-methylamino]ethanol?
2-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-methylamino]ethanol has a molecular weight of 462.60 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-methylamino]ethanol is sourced from PubChem (CID 138686680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).