[3-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]oxetan-3-yl]methanol

C28H36N6O2 — CID 138686657

IUPAC[3-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]oxetan-3-yl]methanol
SMILESCc1c(-c2[nH]c3ccc(C4CCC(NC5(CO)COC5)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H36N6O2/c1-16(2)24-25(21-11-34-27(29-15-30-34)18(4)17(21)3)32-23-10-9-22(31-26(23)24)19-5-7-20(8-6-19)33-28(12-35)13-36-14-28/h9-11,15-16,19-20,32-33,35H,5-8,12-14H2,1-4H3
InChIKeyRAZVTRHTHJSSNE-UHFFFAOYSA-N
MW488.64 g/mol
LogP4.39
Rot. Bonds6

About [3-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]oxetan-3-yl]methanol

[3-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]oxetan-3-yl]methanol (PubChem CID 138686657) has the molecular formula C28H36N6O2 and a molecular weight of 488.64 g/mol. Its IUPAC name is [3-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]oxetan-3-yl]methanol
PubChem CID138686657
Molecular FormulaC28H36N6O2
Molecular Weight488.64 g/mol
Exact Mass488.29
IUPAC Name[3-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]oxetan-3-yl]methanol
SMILESCc1c(-c2[nH]c3ccc(C4CCC(NC5(CO)COC5)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H36N6O2/c1-16(2)24-25(21-11-34-27(29-15-30-34)18(4)17(21)3)32-23-10-9-22(31-26(23)24)19-5-7-20(8-6-19)33-28(12-35)13-36-14-28/h9-11,15-16,19-20,32-33,35H,5-8,12-14H2,1-4H3
InChIKeyRAZVTRHTHJSSNE-UHFFFAOYSA-N
XLogP4.39
TPSA100.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [3-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]oxetan-3-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]oxetan-3-yl]methanol?
The IUPAC name of [3-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]oxetan-3-yl]methanol (CID 138686657) is [3-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]oxetan-3-yl]methanol is Cc1c(-c2[nH]c3ccc(C4CCC(NC5(CO)COC5)CC4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of [3-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]oxetan-3-yl]methanol?
The InChIKey is RAZVTRHTHJSSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O2/c1-16(2)24-25(21-11-34-27(29-15-30-34)18(4)17(21)3)32-23-10-9-22(31-26(23)24)19-5-7-20(8-6-19)33-28(12-35)13-36-14-28/h9-11,15-16,19-20,32-33,35H,5-8,12-14H2,1-4H3.
What are the key properties of [3-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]oxetan-3-yl]methanol?
[3-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]oxetan-3-yl]methanol has a molecular weight of 488.64 g/mol, XLogP of 4.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]oxetan-3-yl]methanol is sourced from PubChem (CID 138686657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).