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]-4-(oxan-4-yl)morpholine

C26H32N6O3 — CID 138686461

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]-4-(oxan-4-yl)morpholine
SMILESCOc1cc(-c2[nH]c3ccc(C4CN(C5CCOCC5)CCO4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H32N6O3/c1-16(2)23-24(17-12-21(33-3)26-27-15-28-32(26)13-17)30-20-5-4-19(29-25(20)23)22-14-31(8-11-35-22)18-6-9-34-10-7-18/h4-5,12-13,15-16,18,22,30H,6-11,14H2,1-3H3
InChIKeyGKQWZYCGJORCGP-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.96
Rot. Bonds5

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]-4-(oxan-4-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]-4-(oxan-4-yl)morpholine (PubChem CID 138686461) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 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]-4-(oxan-4-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]-4-(oxan-4-yl)morpholine
PubChem CID138686461
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
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]-4-(oxan-4-yl)morpholine
SMILESCOc1cc(-c2[nH]c3ccc(C4CN(C5CCOCC5)CCO4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H32N6O3/c1-16(2)23-24(17-12-21(33-3)26-27-15-28-32(26)13-17)30-20-5-4-19(29-25(20)23)22-14-31(8-11-35-22)18-6-9-34-10-7-18/h4-5,12-13,15-16,18,22,30H,6-11,14H2,1-3H3
InChIKeyGKQWZYCGJORCGP-UHFFFAOYSA-N
XLogP3.96
TPSA89.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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]-4-(oxan-4-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]-4-(oxan-4-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]-4-(oxan-4-yl)morpholine (CID 138686461) 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]-4-(oxan-4-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]-4-(oxan-4-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]-4-(oxan-4-yl)morpholine is COc1cc(-c2[nH]c3ccc(C4CN(C5CCOCC5)CCO4)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]-4-(oxan-4-yl)morpholine?
The InChIKey is GKQWZYCGJORCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-16(2)23-24(17-12-21(33-3)26-27-15-28-32(26)13-17)30-20-5-4-19(29-25(20)23)22-14-31(8-11-35-22)18-6-9-34-10-7-18/h4-5,12-13,15-16,18,22,30H,6-11,14H2,1-3H3.
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]-4-(oxan-4-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]-4-(oxan-4-yl)morpholine has a molecular weight of 476.58 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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]-4-(oxan-4-yl)morpholine is sourced from PubChem (CID 138686461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).