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

C21H24N6O2 — CID 138686498

IUPAC2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine
SMILESCOc1cc(-c2[nH]c3ccc(C4CNCCO4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C21H24N6O2/c1-12(2)18-19(13-8-16(28-3)21-23-11-24-27(21)10-13)26-15-5-4-14(25-20(15)18)17-9-22-6-7-29-17/h4-5,8,10-12,17,22,26H,6-7,9H2,1-3H3
InChIKeyFYHUQNMRHHPGKG-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.07
Rot. Bonds4

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

2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine (PubChem CID 138686498) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine.

Molecular Properties

Compound Name2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine
PubChem CID138686498
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine
SMILESCOc1cc(-c2[nH]c3ccc(C4CNCCO4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C21H24N6O2/c1-12(2)18-19(13-8-16(28-3)21-23-11-24-27(21)10-13)26-15-5-4-14(25-20(15)18)17-9-22-6-7-29-17/h4-5,8,10-12,17,22,26H,6-7,9H2,1-3H3
InChIKeyFYHUQNMRHHPGKG-UHFFFAOYSA-N
XLogP3.07
TPSA89.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine?
The IUPAC name of 2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine (CID 138686498) is 2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine.
What is the SMILES notation for 2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine?
The canonical SMILES for 2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine is COc1cc(-c2[nH]c3ccc(C4CNCCO4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine?
The InChIKey is FYHUQNMRHHPGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-12(2)18-19(13-8-16(28-3)21-23-11-24-27(21)10-13)26-15-5-4-14(25-20(15)18)17-9-22-6-7-29-17/h4-5,8,10-12,17,22,26H,6-7,9H2,1-3H3.
What are the key properties of 2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine?
2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine has a molecular weight of 392.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine is sourced from PubChem (CID 138686498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).