2-[5-ethyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine

C28H37N9 — CID 170062795

IUPAC2-[5-ethyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine
SMILESCCc1cc(-c2cnc3[nH]cc(-c4cnn(C5CCN(CC)CC5)c4)c3n2)cnc1N1CCN(C)CC1
InChIInChI=1S/C28H37N9/c1-4-20-14-21(15-31-28(20)36-12-10-34(3)11-13-36)25-18-30-27-26(33-25)24(17-29-27)22-16-32-37(19-22)23-6-8-35(5-2)9-7-23/h14-19,23H,4-13H2,1-3H3,(H,29,30)
InChIKeyXYAAGGCSKKGKNR-UHFFFAOYSA-N
MW499.67 g/mol
LogP3.85
Rot. Bonds6

About 2-[5-ethyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine

2-[5-ethyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 170062795) has the molecular formula C28H37N9 and a molecular weight of 499.67 g/mol. Its IUPAC name is 2-[5-ethyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-[5-ethyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine
PubChem CID170062795
Molecular FormulaC28H37N9
Molecular Weight499.67 g/mol
Exact Mass499.32
IUPAC Name2-[5-ethyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine
SMILESCCc1cc(-c2cnc3[nH]cc(-c4cnn(C5CCN(CC)CC5)c4)c3n2)cnc1N1CCN(C)CC1
InChIInChI=1S/C28H37N9/c1-4-20-14-21(15-31-28(20)36-12-10-34(3)11-13-36)25-18-30-27-26(33-25)24(17-29-27)22-16-32-37(19-22)23-6-8-35(5-2)9-7-23/h14-19,23H,4-13H2,1-3H3,(H,29,30)
InChIKeyXYAAGGCSKKGKNR-UHFFFAOYSA-N
XLogP3.85
TPSA82.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.67
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-ethyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine with MolForge

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Related Compounds

1-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-morpholin-4-yl-3-pyridinyl]-N,N-dimethylmethanamine
CID 170062627
3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 170066085
1-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-morpholin-4-ylphenyl]-N,N-dimethylmethanamine
CID 170062394
4-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-2,2-dimethylmorpholine
CID 170062880
7-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane
CID 170062889
2-[3,5-dimethyl-4-(oxan-3-yl)phenyl]-7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine
CID 170062457
4-[4-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-fluoro-6-methylphenyl]-2,2-dimethylmorpholine
CID 170062390
3-[2,6-dimethyl-4-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-6-oxa-3-azabicyclo[3.1.1]heptane
CID 170062378
4-[5-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-1,3-thiazol-2-yl]morpholine
CID 170063141
2-[4-(4-methylpiperazin-1-yl)phenyl]-7-[4-(1-methylpyrazol-4-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
CID 146274382
4-ethyl-6-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 25165174
1-[5-[3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]-N,N-dimethylmethanamine
CID 170062809

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-[5-ethyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine (CID 170062795) is 2-[5-ethyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-[5-ethyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-[5-ethyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine is CCc1cc(-c2cnc3[nH]cc(-c4cnn(C5CCN(CC)CC5)c4)c3n2)cnc1N1CCN(C)CC1.
What is the InChIKey of 2-[5-ethyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is XYAAGGCSKKGKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N9/c1-4-20-14-21(15-31-28(20)36-12-10-34(3)11-13-36)25-18-30-27-26(33-25)24(17-29-27)22-16-32-37(19-22)23-6-8-35(5-2)9-7-23/h14-19,23H,4-13H2,1-3H3,(H,29,30).
What are the key properties of 2-[5-ethyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine?
2-[5-ethyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 499.67 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 170062795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).