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

C23H28N6O2 — CID 138686805

IUPAC8-methoxy-6-[5-(1-methylpiperidin-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(C)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C23H28N6O2/c1-14(2)20-21(15-11-18(30-4)23-24-13-25-29(23)12-15)26-17-5-6-19(27-22(17)20)31-16-7-9-28(3)10-8-16/h5-6,11-14,16,26H,7-10H2,1-4H3
InChIKeyVDJYZTQVHKSRLS-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.88
Rot. Bonds5

About 8-methoxy-6-[5-(1-methylpiperidin-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-methylpiperidin-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 138686805) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 8-methoxy-6-[5-(1-methylpiperidin-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-methylpiperidin-4-yl)oxy-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID138686805
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name8-methoxy-6-[5-(1-methylpiperidin-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(C)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C23H28N6O2/c1-14(2)20-21(15-11-18(30-4)23-24-13-25-29(23)12-15)26-17-5-6-19(27-22(17)20)31-16-7-9-28(3)10-8-16/h5-6,11-14,16,26H,7-10H2,1-4H3
InChIKeyVDJYZTQVHKSRLS-UHFFFAOYSA-N
XLogP3.88
TPSA80.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-[5-(1-methylpiperidin-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-methylpiperidin-4-yl)oxy-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 138686805) is 8-methoxy-6-[5-(1-methylpiperidin-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-methylpiperidin-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-methylpiperidin-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(C)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 8-methoxy-6-[5-(1-methylpiperidin-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 VDJYZTQVHKSRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-14(2)20-21(15-11-18(30-4)23-24-13-25-29(23)12-15)26-17-5-6-19(27-22(17)20)31-16-7-9-28(3)10-8-16/h5-6,11-14,16,26H,7-10H2,1-4H3.
What are the key properties of 8-methoxy-6-[5-(1-methylpiperidin-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-methylpiperidin-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 420.52 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-[5-(1-methylpiperidin-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 138686805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).