N-[2-[4-(3-ethenylimidazo[1,2-a]pyrazin-6-yl)-1-methylpyrazol-5-yl]oxyethyl]-5-ethyl-N,2,4-trimethylpyrazole-3-carboxamide

C23H28N8O2 — CID 177367340

IUPACN-[2-[4-(3-ethenylimidazo[1,2-a]pyrazin-6-yl)-1-methylpyrazol-5-yl]oxyethyl]-5-ethyl-N,2,4-trimethylpyrazole-3-carboxamide
SMILESC=Cc1cnc2cnc(-c3cnn(C)c3OCCN(C)C(=O)c3c(C)c(CC)nn3C)cn12
InChIInChI=1S/C23H28N8O2/c1-7-16-11-25-20-13-24-19(14-31(16)20)17-12-26-30(6)23(17)33-10-9-28(4)22(32)21-15(3)18(8-2)27-29(21)5/h7,11-14H,1,8-10H2,2-6H3
InChIKeyFHMJSIJPRIALTJ-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.53
Rot. Bonds8

About N-[2-[4-(3-ethenylimidazo[1,2-a]pyrazin-6-yl)-1-methylpyrazol-5-yl]oxyethyl]-5-ethyl-N,2,4-trimethylpyrazole-3-carboxamide

N-[2-[4-(3-ethenylimidazo[1,2-a]pyrazin-6-yl)-1-methylpyrazol-5-yl]oxyethyl]-5-ethyl-N,2,4-trimethylpyrazole-3-carboxamide (PubChem CID 177367340) has the molecular formula C23H28N8O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[2-[4-(3-ethenylimidazo[1,2-a]pyrazin-6-yl)-1-methylpyrazol-5-yl]oxyethyl]-5-ethyl-N,2,4-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-ethenylimidazo[1,2-a]pyrazin-6-yl)-1-methylpyrazol-5-yl]oxyethyl]-5-ethyl-N,2,4-trimethylpyrazole-3-carboxamide
PubChem CID177367340
Molecular FormulaC23H28N8O2
Molecular Weight448.53 g/mol
Exact Mass448.23
IUPAC NameN-[2-[4-(3-ethenylimidazo[1,2-a]pyrazin-6-yl)-1-methylpyrazol-5-yl]oxyethyl]-5-ethyl-N,2,4-trimethylpyrazole-3-carboxamide
SMILESC=Cc1cnc2cnc(-c3cnn(C)c3OCCN(C)C(=O)c3c(C)c(CC)nn3C)cn12
InChIInChI=1S/C23H28N8O2/c1-7-16-11-25-20-13-24-19(14-31(16)20)17-12-26-30(6)23(17)33-10-9-28(4)22(32)21-15(3)18(8-2)27-29(21)5/h7,11-14H,1,8-10H2,2-6H3
InChIKeyFHMJSIJPRIALTJ-UHFFFAOYSA-N
XLogP2.53
TPSA95.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-ethenylimidazo[1,2-a]pyrazin-6-yl)-1-methylpyrazol-5-yl]oxyethyl]-5-ethyl-N,2,4-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[4-(3-ethenylimidazo[1,2-a]pyrazin-6-yl)-1-methylpyrazol-5-yl]oxyethyl]-5-ethyl-N,2,4-trimethylpyrazole-3-carboxamide (CID 177367340) is N-[2-[4-(3-ethenylimidazo[1,2-a]pyrazin-6-yl)-1-methylpyrazol-5-yl]oxyethyl]-5-ethyl-N,2,4-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(3-ethenylimidazo[1,2-a]pyrazin-6-yl)-1-methylpyrazol-5-yl]oxyethyl]-5-ethyl-N,2,4-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(3-ethenylimidazo[1,2-a]pyrazin-6-yl)-1-methylpyrazol-5-yl]oxyethyl]-5-ethyl-N,2,4-trimethylpyrazole-3-carboxamide is C=Cc1cnc2cnc(-c3cnn(C)c3OCCN(C)C(=O)c3c(C)c(CC)nn3C)cn12.
What is the InChIKey of N-[2-[4-(3-ethenylimidazo[1,2-a]pyrazin-6-yl)-1-methylpyrazol-5-yl]oxyethyl]-5-ethyl-N,2,4-trimethylpyrazole-3-carboxamide?
The InChIKey is FHMJSIJPRIALTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O2/c1-7-16-11-25-20-13-24-19(14-31(16)20)17-12-26-30(6)23(17)33-10-9-28(4)22(32)21-15(3)18(8-2)27-29(21)5/h7,11-14H,1,8-10H2,2-6H3.
What are the key properties of N-[2-[4-(3-ethenylimidazo[1,2-a]pyrazin-6-yl)-1-methylpyrazol-5-yl]oxyethyl]-5-ethyl-N,2,4-trimethylpyrazole-3-carboxamide?
N-[2-[4-(3-ethenylimidazo[1,2-a]pyrazin-6-yl)-1-methylpyrazol-5-yl]oxyethyl]-5-ethyl-N,2,4-trimethylpyrazole-3-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 2.53, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-ethenylimidazo[1,2-a]pyrazin-6-yl)-1-methylpyrazol-5-yl]oxyethyl]-5-ethyl-N,2,4-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 177367340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).