4-morpholin-4-yl-6-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C19H20N6O2 — CID 71149556

IUPAC4-morpholin-4-yl-6-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2c(N3CCOCC3)ccnc2CN1CCc1nc2ccccn2n1
InChIInChI=1S/C19H20N6O2/c26-19-18-14(20-6-4-15(18)23-9-11-27-12-10-23)13-24(19)8-5-16-21-17-3-1-2-7-25(17)22-16/h1-4,6-7H,5,8-13H2
InChIKeyGUZWFOPAMKXHOR-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.16
Rot. Bonds4

About 4-morpholin-4-yl-6-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one

4-morpholin-4-yl-6-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 71149556) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name4-morpholin-4-yl-6-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID71149556
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name4-morpholin-4-yl-6-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2c(N3CCOCC3)ccnc2CN1CCc1nc2ccccn2n1
InChIInChI=1S/C19H20N6O2/c26-19-18-14(20-6-4-15(18)23-9-11-27-12-10-23)13-24(19)8-5-16-21-17-3-1-2-7-25(17)22-16/h1-4,6-7H,5,8-13H2
InChIKeyGUZWFOPAMKXHOR-UHFFFAOYSA-N
XLogP1.16
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 4-morpholin-4-yl-6-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 71149556) is 4-morpholin-4-yl-6-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 4-morpholin-4-yl-6-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 4-morpholin-4-yl-6-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one is O=C1c2c(N3CCOCC3)ccnc2CN1CCc1nc2ccccn2n1.
What is the InChIKey of 4-morpholin-4-yl-6-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is GUZWFOPAMKXHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c26-19-18-14(20-6-4-15(18)23-9-11-27-12-10-23)13-24(19)8-5-16-21-17-3-1-2-7-25(17)22-16/h1-4,6-7H,5,8-13H2.
What are the key properties of 4-morpholin-4-yl-6-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
4-morpholin-4-yl-6-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 364.41 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 71149556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).