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]-1-(2-morpholin-4-ylethyl)piperazin-2-one

C28H36N8O2 — CID 138686486

IUPAC4-[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]-1-(2-morpholin-4-ylethyl)piperazin-2-one
SMILESCc1c(-c2[nH]c3ccc(N4CCN(CCN5CCOCC5)C(=O)C4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H36N8O2/c1-18(2)25-26(21-15-36-28(29-17-30-36)20(4)19(21)3)31-22-5-6-23(32-27(22)25)35-10-9-34(24(37)16-35)8-7-33-11-13-38-14-12-33/h5-6,15,17-18,31H,7-14,16H2,1-4H3
InChIKeyWHFBRMXXOTZUMP-UHFFFAOYSA-N
MW516.65 g/mol
LogP2.99
Rot. Bonds6

About 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]-1-(2-morpholin-4-ylethyl)piperazin-2-one

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]-1-(2-morpholin-4-ylethyl)piperazin-2-one (PubChem CID 138686486) has the molecular formula C28H36N8O2 and a molecular weight of 516.65 g/mol. Its IUPAC name is 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]-1-(2-morpholin-4-ylethyl)piperazin-2-one.

Molecular Properties

Compound Name4-[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]-1-(2-morpholin-4-ylethyl)piperazin-2-one
PubChem CID138686486
Molecular FormulaC28H36N8O2
Molecular Weight516.65 g/mol
Exact Mass516.30
IUPAC Name4-[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]-1-(2-morpholin-4-ylethyl)piperazin-2-one
SMILESCc1c(-c2[nH]c3ccc(N4CCN(CCN5CCOCC5)C(=O)C4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H36N8O2/c1-18(2)25-26(21-15-36-28(29-17-30-36)20(4)19(21)3)31-22-5-6-23(32-27(22)25)35-10-9-34(24(37)16-35)8-7-33-11-13-38-14-12-33/h5-6,15,17-18,31H,7-14,16H2,1-4H3
InChIKeyWHFBRMXXOTZUMP-UHFFFAOYSA-N
XLogP2.99
TPSA94.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.65
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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]-1-(2-morpholin-4-ylethyl)piperazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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]-1-(2-morpholin-4-ylethyl)piperazin-2-one?
The IUPAC name of 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]-1-(2-morpholin-4-ylethyl)piperazin-2-one (CID 138686486) is 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]-1-(2-morpholin-4-ylethyl)piperazin-2-one.
What is the SMILES notation for 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]-1-(2-morpholin-4-ylethyl)piperazin-2-one?
The canonical SMILES for 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]-1-(2-morpholin-4-ylethyl)piperazin-2-one is Cc1c(-c2[nH]c3ccc(N4CCN(CCN5CCOCC5)C(=O)C4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 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]-1-(2-morpholin-4-ylethyl)piperazin-2-one?
The InChIKey is WHFBRMXXOTZUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N8O2/c1-18(2)25-26(21-15-36-28(29-17-30-36)20(4)19(21)3)31-22-5-6-23(32-27(22)25)35-10-9-34(24(37)16-35)8-7-33-11-13-38-14-12-33/h5-6,15,17-18,31H,7-14,16H2,1-4H3.
What are the key properties of 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]-1-(2-morpholin-4-ylethyl)piperazin-2-one?
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]-1-(2-morpholin-4-ylethyl)piperazin-2-one has a molecular weight of 516.65 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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]-1-(2-morpholin-4-ylethyl)piperazin-2-one is sourced from PubChem (CID 138686486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).