2-(3,3-dimethylmorpholin-4-yl)-1-[4-[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]piperazin-1-yl]ethanone

C30H40N8O2 — CID 138686783

IUPAC2-(3,3-dimethylmorpholin-4-yl)-1-[4-[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]piperazin-1-yl]ethanone
SMILESCc1c(-c2[nH]c3ccc(N4CCN(C(=O)CN5CCOCC5(C)C)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C30H40N8O2/c1-19(2)26-27(22-15-38-29(31-18-32-38)21(4)20(22)3)33-23-7-8-24(34-28(23)26)35-9-11-36(12-10-35)25(39)16-37-13-14-40-17-30(37,5)6/h7-8,15,18-19,33H,9-14,16-17H2,1-6H3
InChIKeyALHIFXJIMGYIHO-UHFFFAOYSA-N
MW544.70 g/mol
LogP3.77
Rot. Bonds5

About 2-(3,3-dimethylmorpholin-4-yl)-1-[4-[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]piperazin-1-yl]ethanone

2-(3,3-dimethylmorpholin-4-yl)-1-[4-[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]piperazin-1-yl]ethanone (PubChem CID 138686783) has the molecular formula C30H40N8O2 and a molecular weight of 544.70 g/mol. Its IUPAC name is 2-(3,3-dimethylmorpholin-4-yl)-1-[4-[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]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,3-dimethylmorpholin-4-yl)-1-[4-[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]piperazin-1-yl]ethanone
PubChem CID138686783
Molecular FormulaC30H40N8O2
Molecular Weight544.70 g/mol
Exact Mass544.33
IUPAC Name2-(3,3-dimethylmorpholin-4-yl)-1-[4-[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]piperazin-1-yl]ethanone
SMILESCc1c(-c2[nH]c3ccc(N4CCN(C(=O)CN5CCOCC5(C)C)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C30H40N8O2/c1-19(2)26-27(22-15-38-29(31-18-32-38)21(4)20(22)3)33-23-7-8-24(34-28(23)26)35-9-11-36(12-10-35)25(39)16-37-13-14-40-17-30(37,5)6/h7-8,15,18-19,33H,9-14,16-17H2,1-6H3
InChIKeyALHIFXJIMGYIHO-UHFFFAOYSA-N
XLogP3.77
TPSA94.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.70
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(3,3-dimethylmorpholin-4-yl)-1-[4-[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]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-1-[4-[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]piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-1-[4-[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]piperazin-1-yl]ethanone (CID 138686783) is 2-(3,3-dimethylmorpholin-4-yl)-1-[4-[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]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,3-dimethylmorpholin-4-yl)-1-[4-[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]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,3-dimethylmorpholin-4-yl)-1-[4-[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]piperazin-1-yl]ethanone is Cc1c(-c2[nH]c3ccc(N4CCN(C(=O)CN5CCOCC5(C)C)CC4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 2-(3,3-dimethylmorpholin-4-yl)-1-[4-[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]piperazin-1-yl]ethanone?
The InChIKey is ALHIFXJIMGYIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N8O2/c1-19(2)26-27(22-15-38-29(31-18-32-38)21(4)20(22)3)33-23-7-8-24(34-28(23)26)35-9-11-36(12-10-35)25(39)16-37-13-14-40-17-30(37,5)6/h7-8,15,18-19,33H,9-14,16-17H2,1-6H3.
What are the key properties of 2-(3,3-dimethylmorpholin-4-yl)-1-[4-[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]piperazin-1-yl]ethanone?
2-(3,3-dimethylmorpholin-4-yl)-1-[4-[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]piperazin-1-yl]ethanone has a molecular weight of 544.70 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylmorpholin-4-yl)-1-[4-[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]piperazin-1-yl]ethanone is sourced from PubChem (CID 138686783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).