1-[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]oxy]piperidin-1-yl]-2-methylpropan-2-ol

C26H34N6O3 — CID 138686660

IUPAC1-[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]oxy]piperidin-1-yl]-2-methylpropan-2-ol
SMILESCOc1cc(-c2[nH]c3ccc(OC4CCN(CC(C)(C)O)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H34N6O3/c1-16(2)22-23(17-12-20(34-5)25-27-15-28-32(25)13-17)29-19-6-7-21(30-24(19)22)35-18-8-10-31(11-9-18)14-26(3,4)33/h6-7,12-13,15-16,18,29,33H,8-11,14H2,1-5H3
InChIKeyPJBJBVDOHCKNST-UHFFFAOYSA-N
MW478.60 g/mol
LogP4.02
Rot. Bonds7

About 1-[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]oxy]piperidin-1-yl]-2-methylpropan-2-ol

1-[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]oxy]piperidin-1-yl]-2-methylpropan-2-ol (PubChem CID 138686660) has the molecular formula C26H34N6O3 and a molecular weight of 478.60 g/mol. Its IUPAC name is 1-[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]oxy]piperidin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[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]oxy]piperidin-1-yl]-2-methylpropan-2-ol
PubChem CID138686660
Molecular FormulaC26H34N6O3
Molecular Weight478.60 g/mol
Exact Mass478.27
IUPAC Name1-[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]oxy]piperidin-1-yl]-2-methylpropan-2-ol
SMILESCOc1cc(-c2[nH]c3ccc(OC4CCN(CC(C)(C)O)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H34N6O3/c1-16(2)22-23(17-12-20(34-5)25-27-15-28-32(25)13-17)29-19-6-7-21(30-24(19)22)35-18-8-10-31(11-9-18)14-26(3,4)33/h6-7,12-13,15-16,18,29,33H,8-11,14H2,1-5H3
InChIKeyPJBJBVDOHCKNST-UHFFFAOYSA-N
XLogP4.02
TPSA100.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[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]oxy]piperidin-1-yl]-2-methylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[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]oxy]piperidin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[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]oxy]piperidin-1-yl]-2-methylpropan-2-ol (CID 138686660) is 1-[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]oxy]piperidin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[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]oxy]piperidin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[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]oxy]piperidin-1-yl]-2-methylpropan-2-ol is COc1cc(-c2[nH]c3ccc(OC4CCN(CC(C)(C)O)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 1-[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]oxy]piperidin-1-yl]-2-methylpropan-2-ol?
The InChIKey is PJBJBVDOHCKNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3/c1-16(2)22-23(17-12-20(34-5)25-27-15-28-32(25)13-17)29-19-6-7-21(30-24(19)22)35-18-8-10-31(11-9-18)14-26(3,4)33/h6-7,12-13,15-16,18,29,33H,8-11,14H2,1-5H3.
What are the key properties of 1-[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]oxy]piperidin-1-yl]-2-methylpropan-2-ol?
1-[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]oxy]piperidin-1-yl]-2-methylpropan-2-ol has a molecular weight of 478.60 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[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]oxy]piperidin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 138686660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).