3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-7-methyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine

C22H30N4 — CID 143580126

IUPAC3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-7-methyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine
SMILESCCc1nc(C(C)C)ccc1-c1nc2c(C)cn(C(C)C)c2nc1CC
InChIInChI=1S/C22H30N4/c1-8-17-16(10-11-19(23-17)13(3)4)21-18(9-2)24-22-20(25-21)15(7)12-26(22)14(5)6/h10-14H,8-9H2,1-7H3
InChIKeyIQIACUIBRRLQAX-UHFFFAOYSA-N
MW350.51 g/mol
LogP5.63
Rot. Bonds5

About 3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-7-methyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine

3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-7-methyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine (PubChem CID 143580126) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is 3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-7-methyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-7-methyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine
PubChem CID143580126
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC Name3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-7-methyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine
SMILESCCc1nc(C(C)C)ccc1-c1nc2c(C)cn(C(C)C)c2nc1CC
InChIInChI=1S/C22H30N4/c1-8-17-16(10-11-19(23-17)13(3)4)21-18(9-2)24-22-20(25-21)15(7)12-26(22)14(5)6/h10-14H,8-9H2,1-7H3
InChIKeyIQIACUIBRRLQAX-UHFFFAOYSA-N
XLogP5.63
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-7-methyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-7-methyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine?
The IUPAC name of 3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-7-methyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine (CID 143580126) is 3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-7-methyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-7-methyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine?
The canonical SMILES for 3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-7-methyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine is CCc1nc(C(C)C)ccc1-c1nc2c(C)cn(C(C)C)c2nc1CC.
What is the InChIKey of 3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-7-methyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine?
The InChIKey is IQIACUIBRRLQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4/c1-8-17-16(10-11-19(23-17)13(3)4)21-18(9-2)24-22-20(25-21)15(7)12-26(22)14(5)6/h10-14H,8-9H2,1-7H3.
What are the key properties of 3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-7-methyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine?
3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-7-methyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine has a molecular weight of 350.51 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-7-methyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 143580126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).