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]oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol

C27H36N6O3 — CID 138686427

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]oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol
SMILESCOc1cc(-c2[nH]c3ccc(OCC4CCN(CC(C)(C)O)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H36N6O3/c1-17(2)23-24(19-12-21(35-5)26-28-16-29-33(26)13-19)30-20-6-7-22(31-25(20)23)36-14-18-8-10-32(11-9-18)15-27(3,4)34/h6-7,12-13,16-18,30,34H,8-11,14-15H2,1-5H3
InChIKeyOIGIMEHSEFTQCB-UHFFFAOYSA-N
MW492.62 g/mol
LogP4.27
Rot. Bonds8

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]oxymethyl]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]oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol (PubChem CID 138686427) has the molecular formula C27H36N6O3 and a molecular weight of 492.62 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]oxymethyl]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]oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol
PubChem CID138686427
Molecular FormulaC27H36N6O3
Molecular Weight492.62 g/mol
Exact Mass492.28
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]oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol
SMILESCOc1cc(-c2[nH]c3ccc(OCC4CCN(CC(C)(C)O)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H36N6O3/c1-17(2)23-24(19-12-21(35-5)26-28-16-29-33(26)13-19)30-20-6-7-22(31-25(20)23)36-14-18-8-10-32(11-9-18)15-27(3,4)34/h6-7,12-13,16-18,30,34H,8-11,14-15H2,1-5H3
InChIKeyOIGIMEHSEFTQCB-UHFFFAOYSA-N
XLogP4.27
TPSA100.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 54.27
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]oxymethyl]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]oxymethyl]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]oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol (CID 138686427) 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]oxymethyl]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]oxymethyl]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]oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol is COc1cc(-c2[nH]c3ccc(OCC4CCN(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]oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol?
The InChIKey is OIGIMEHSEFTQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O3/c1-17(2)23-24(19-12-21(35-5)26-28-16-29-33(26)13-19)30-20-6-7-22(31-25(20)23)36-14-18-8-10-32(11-9-18)15-27(3,4)34/h6-7,12-13,16-18,30,34H,8-11,14-15H2,1-5H3.
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]oxymethyl]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]oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol has a molecular weight of 492.62 g/mol, XLogP of 4.27, 8 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]oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 138686427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).