2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-methylmorpholine

C23H28N6O — CID 138686250

IUPAC2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-methylmorpholine
SMILESCc1c(-c2[nH]c3ccc(C4CN(C)CCO4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C23H28N6O/c1-13(2)20-21(16-10-29-23(24-12-25-29)15(4)14(16)3)27-18-7-6-17(26-22(18)20)19-11-28(5)8-9-30-19/h6-7,10,12-13,19,27H,8-9,11H2,1-5H3
InChIKeyMDDSOWLUPOTRGQ-UHFFFAOYSA-N
MW404.52 g/mol
LogP4.02
Rot. Bonds3

About 2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-methylmorpholine

2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-methylmorpholine (PubChem CID 138686250) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-methylmorpholine
PubChem CID138686250
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-methylmorpholine
SMILESCc1c(-c2[nH]c3ccc(C4CN(C)CCO4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C23H28N6O/c1-13(2)20-21(16-10-29-23(24-12-25-29)15(4)14(16)3)27-18-7-6-17(26-22(18)20)19-11-28(5)8-9-30-19/h6-7,10,12-13,19,27H,8-9,11H2,1-5H3
InChIKeyMDDSOWLUPOTRGQ-UHFFFAOYSA-N
XLogP4.02
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-methylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-methylmorpholine?
The IUPAC name of 2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-methylmorpholine (CID 138686250) is 2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-methylmorpholine.
What is the SMILES notation for 2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-methylmorpholine?
The canonical SMILES for 2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-methylmorpholine is Cc1c(-c2[nH]c3ccc(C4CN(C)CCO4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-methylmorpholine?
The InChIKey is MDDSOWLUPOTRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-13(2)20-21(16-10-29-23(24-12-25-29)15(4)14(16)3)27-18-7-6-17(26-22(18)20)19-11-28(5)8-9-30-19/h6-7,10,12-13,19,27H,8-9,11H2,1-5H3.
What are the key properties of 2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-methylmorpholine?
2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-methylmorpholine has a molecular weight of 404.52 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-methylmorpholine is sourced from PubChem (CID 138686250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).