8-methoxy-6-[5-[[1-(oxan-4-yl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

C28H36N6O3 — CID 138686822

IUPAC8-methoxy-6-[5-[[1-(oxan-4-yl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3ccc(OCC4CCN(C5CCOCC5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C28H36N6O3/c1-18(2)25-26(20-14-23(35-3)28-29-17-30-34(28)15-20)31-22-4-5-24(32-27(22)25)37-16-19-6-10-33(11-7-19)21-8-12-36-13-9-21/h4-5,14-15,17-19,21,31H,6-13,16H2,1-3H3
InChIKeyFPAYHCGJNJAIKZ-UHFFFAOYSA-N
MW504.64 g/mol
LogP4.67
Rot. Bonds7

About 8-methoxy-6-[5-[[1-(oxan-4-yl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

8-methoxy-6-[5-[[1-(oxan-4-yl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 138686822) has the molecular formula C28H36N6O3 and a molecular weight of 504.64 g/mol. Its IUPAC name is 8-methoxy-6-[5-[[1-(oxan-4-yl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methoxy-6-[5-[[1-(oxan-4-yl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID138686822
Molecular FormulaC28H36N6O3
Molecular Weight504.64 g/mol
Exact Mass504.28
IUPAC Name8-methoxy-6-[5-[[1-(oxan-4-yl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3ccc(OCC4CCN(C5CCOCC5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C28H36N6O3/c1-18(2)25-26(20-14-23(35-3)28-29-17-30-34(28)15-20)31-22-4-5-24(32-27(22)25)37-16-19-6-10-33(11-7-19)21-8-12-36-13-9-21/h4-5,14-15,17-19,21,31H,6-13,16H2,1-3H3
InChIKeyFPAYHCGJNJAIKZ-UHFFFAOYSA-N
XLogP4.67
TPSA89.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.64
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-[5-[[1-(oxan-4-yl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methoxy-6-[5-[[1-(oxan-4-yl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 138686822) is 8-methoxy-6-[5-[[1-(oxan-4-yl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methoxy-6-[5-[[1-(oxan-4-yl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methoxy-6-[5-[[1-(oxan-4-yl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2[nH]c3ccc(OCC4CCN(C5CCOCC5)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 8-methoxy-6-[5-[[1-(oxan-4-yl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is FPAYHCGJNJAIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O3/c1-18(2)25-26(20-14-23(35-3)28-29-17-30-34(28)15-20)31-22-4-5-24(32-27(22)25)37-16-19-6-10-33(11-7-19)21-8-12-36-13-9-21/h4-5,14-15,17-19,21,31H,6-13,16H2,1-3H3.
What are the key properties of 8-methoxy-6-[5-[[1-(oxan-4-yl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methoxy-6-[5-[[1-(oxan-4-yl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 504.64 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-[5-[[1-(oxan-4-yl)piperidin-4-yl]methoxy]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 138686822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).