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

C27H34N6O3 — CID 138686310

IUPAC8-methoxy-6-[5-[1-(oxan-4-yl)piperidin-4-yl]oxy-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3ccc(OC4CCN(C5CCOCC5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H34N6O3/c1-17(2)24-25(18-14-22(34-3)27-28-16-29-33(27)15-18)30-21-4-5-23(31-26(21)24)36-20-6-10-32(11-7-20)19-8-12-35-13-9-19/h4-5,14-17,19-20,30H,6-13H2,1-3H3
InChIKeyYBIICXOOCWWLOQ-UHFFFAOYSA-N
MW490.61 g/mol
LogP4.43
Rot. Bonds6

About 8-methoxy-6-[5-[1-(oxan-4-yl)piperidin-4-yl]oxy-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]oxy-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 138686310) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is 8-methoxy-6-[5-[1-(oxan-4-yl)piperidin-4-yl]oxy-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]oxy-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID138686310
Molecular FormulaC27H34N6O3
Molecular Weight490.61 g/mol
Exact Mass490.27
IUPAC Name8-methoxy-6-[5-[1-(oxan-4-yl)piperidin-4-yl]oxy-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3ccc(OC4CCN(C5CCOCC5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H34N6O3/c1-17(2)24-25(18-14-22(34-3)27-28-16-29-33(27)15-18)30-21-4-5-23(31-26(21)24)36-20-6-10-32(11-7-20)19-8-12-35-13-9-19/h4-5,14-17,19-20,30H,6-13H2,1-3H3
InChIKeyYBIICXOOCWWLOQ-UHFFFAOYSA-N
XLogP4.43
TPSA89.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 54.43
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]oxy-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]oxy-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 138686310) is 8-methoxy-6-[5-[1-(oxan-4-yl)piperidin-4-yl]oxy-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]oxy-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]oxy-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(OC4CCN(C5CCOCC5)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 8-methoxy-6-[5-[1-(oxan-4-yl)piperidin-4-yl]oxy-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is YBIICXOOCWWLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O3/c1-17(2)24-25(18-14-22(34-3)27-28-16-29-33(27)15-18)30-21-4-5-23(31-26(21)24)36-20-6-10-32(11-7-20)19-8-12-35-13-9-19/h4-5,14-17,19-20,30H,6-13H2,1-3H3.
What are the key properties of 8-methoxy-6-[5-[1-(oxan-4-yl)piperidin-4-yl]oxy-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]oxy-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 490.61 g/mol, XLogP of 4.43, 6 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]oxy-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 138686310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).