5-(3-chloro-5-ethyl-7-methylpyrrolo[2,3-b]pyrazin-2-yl)-N,N,4-triethylpyridin-2-amine;ethane

C22H32ClN5 — CID 143015035

IUPAC5-(3-chloro-5-ethyl-7-methylpyrrolo[2,3-b]pyrazin-2-yl)-N,N,4-triethylpyridin-2-amine;ethane
SMILESCC.CCc1cc(N(CC)CC)ncc1-c1nc2c(C)cn(CC)c2nc1Cl
InChIInChI=1S/C20H26ClN5.C2H6/c1-6-14-10-16(25(7-2)8-3)22-11-15(14)18-19(21)24-20-17(23-18)13(5)12-26(20)9-4;1-2/h10-12H,6-9H2,1-5H3;1-2H3
InChIKeyYZDBHHFWZIFIFB-UHFFFAOYSA-N
MW401.99 g/mol
LogP5.91
Rot. Bonds6

About 5-(3-chloro-5-ethyl-7-methylpyrrolo[2,3-b]pyrazin-2-yl)-N,N,4-triethylpyridin-2-amine;ethane

5-(3-chloro-5-ethyl-7-methylpyrrolo[2,3-b]pyrazin-2-yl)-N,N,4-triethylpyridin-2-amine;ethane (PubChem CID 143015035) has the molecular formula C22H32ClN5 and a molecular weight of 401.99 g/mol. Its IUPAC name is 5-(3-chloro-5-ethyl-7-methylpyrrolo[2,3-b]pyrazin-2-yl)-N,N,4-triethylpyridin-2-amine;ethane.

Molecular Properties

Compound Name5-(3-chloro-5-ethyl-7-methylpyrrolo[2,3-b]pyrazin-2-yl)-N,N,4-triethylpyridin-2-amine;ethane
PubChem CID143015035
Molecular FormulaC22H32ClN5
Molecular Weight401.99 g/mol
Exact Mass401.23
IUPAC Name5-(3-chloro-5-ethyl-7-methylpyrrolo[2,3-b]pyrazin-2-yl)-N,N,4-triethylpyridin-2-amine;ethane
SMILESCC.CCc1cc(N(CC)CC)ncc1-c1nc2c(C)cn(CC)c2nc1Cl
InChIInChI=1S/C20H26ClN5.C2H6/c1-6-14-10-16(25(7-2)8-3)22-11-15(14)18-19(21)24-20-17(23-18)13(5)12-26(20)9-4;1-2/h10-12H,6-9H2,1-5H3;1-2H3
InChIKeyYZDBHHFWZIFIFB-UHFFFAOYSA-N
XLogP5.91
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.99
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-ethyl-7-methylpyrrolo[2,3-b]pyrazin-2-yl)-N,N,4-triethylpyridin-2-amine;ethane?
The IUPAC name of 5-(3-chloro-5-ethyl-7-methylpyrrolo[2,3-b]pyrazin-2-yl)-N,N,4-triethylpyridin-2-amine;ethane (CID 143015035) is 5-(3-chloro-5-ethyl-7-methylpyrrolo[2,3-b]pyrazin-2-yl)-N,N,4-triethylpyridin-2-amine;ethane.
What is the SMILES notation for 5-(3-chloro-5-ethyl-7-methylpyrrolo[2,3-b]pyrazin-2-yl)-N,N,4-triethylpyridin-2-amine;ethane?
The canonical SMILES for 5-(3-chloro-5-ethyl-7-methylpyrrolo[2,3-b]pyrazin-2-yl)-N,N,4-triethylpyridin-2-amine;ethane is CC.CCc1cc(N(CC)CC)ncc1-c1nc2c(C)cn(CC)c2nc1Cl.
What is the InChIKey of 5-(3-chloro-5-ethyl-7-methylpyrrolo[2,3-b]pyrazin-2-yl)-N,N,4-triethylpyridin-2-amine;ethane?
The InChIKey is YZDBHHFWZIFIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5.C2H6/c1-6-14-10-16(25(7-2)8-3)22-11-15(14)18-19(21)24-20-17(23-18)13(5)12-26(20)9-4;1-2/h10-12H,6-9H2,1-5H3;1-2H3.
What are the key properties of 5-(3-chloro-5-ethyl-7-methylpyrrolo[2,3-b]pyrazin-2-yl)-N,N,4-triethylpyridin-2-amine;ethane?
5-(3-chloro-5-ethyl-7-methylpyrrolo[2,3-b]pyrazin-2-yl)-N,N,4-triethylpyridin-2-amine;ethane has a molecular weight of 401.99 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-5-ethyl-7-methylpyrrolo[2,3-b]pyrazin-2-yl)-N,N,4-triethylpyridin-2-amine;ethane is sourced from PubChem (CID 143015035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).