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

C28H36N6O2 — CID 138686489

IUPAC8-methoxy-6-[6-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3cc(C)c(C4CCN(C5CCOCC5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C28H36N6O2/c1-17(2)24-26(20-14-23(35-4)28-29-16-30-34(28)15-20)31-22-13-18(3)25(32-27(22)24)19-5-9-33(10-6-19)21-7-11-36-12-8-21/h13-17,19,21,31H,5-12H2,1-4H3
InChIKeyDQWDFHQYDLEXNX-UHFFFAOYSA-N
MW488.64 g/mol
LogP5.07
Rot. Bonds5

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

8-methoxy-6-[6-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 138686489) has the molecular formula C28H36N6O2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 8-methoxy-6-[6-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-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-[6-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID138686489
Molecular FormulaC28H36N6O2
Molecular Weight488.64 g/mol
Exact Mass488.29
IUPAC Name8-methoxy-6-[6-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3cc(C)c(C4CCN(C5CCOCC5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C28H36N6O2/c1-17(2)24-26(20-14-23(35-4)28-29-16-30-34(28)15-20)31-22-13-18(3)25(32-27(22)24)19-5-9-33(10-6-19)21-7-11-36-12-8-21/h13-17,19,21,31H,5-12H2,1-4H3
InChIKeyDQWDFHQYDLEXNX-UHFFFAOYSA-N
XLogP5.07
TPSA80.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.64
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-[6-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-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-[6-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 138686489) is 8-methoxy-6-[6-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-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-[6-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-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-[6-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2[nH]c3cc(C)c(C4CCN(C5CCOCC5)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 8-methoxy-6-[6-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is DQWDFHQYDLEXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O2/c1-17(2)24-26(20-14-23(35-4)28-29-16-30-34(28)15-20)31-22-13-18(3)25(32-27(22)24)19-5-9-33(10-6-19)21-7-11-36-12-8-21/h13-17,19,21,31H,5-12H2,1-4H3.
What are the key properties of 8-methoxy-6-[6-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methoxy-6-[6-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-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 488.64 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-[6-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-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 138686489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).