5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide

C20H24N8OS — CID 58873868

IUPAC5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(Nc2nc(CCN)cn3c(-c4cnn(C)c4)cnc23)cc1C
InChIInChI=1S/C20H24N8OS/c1-4-22-20(29)17-12(2)7-16(30-17)26-18-19-23-9-15(13-8-24-27(3)10-13)28(19)11-14(25-18)5-6-21/h7-11H,4-6,21H2,1-3H3,(H,22,29)(H,25,26)
InChIKeyVABPUYWCOKMDQV-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.49
Rot. Bonds7

About 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide

5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide (PubChem CID 58873868) has the molecular formula C20H24N8OS and a molecular weight of 424.53 g/mol. Its IUPAC name is 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide
PubChem CID58873868
Molecular FormulaC20H24N8OS
Molecular Weight424.53 g/mol
Exact Mass424.18
IUPAC Name5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(Nc2nc(CCN)cn3c(-c4cnn(C)c4)cnc23)cc1C
InChIInChI=1S/C20H24N8OS/c1-4-22-20(29)17-12(2)7-16(30-17)26-18-19-23-9-15(13-8-24-27(3)10-13)28(19)11-14(25-18)5-6-21/h7-11H,4-6,21H2,1-3H3,(H,22,29)(H,25,26)
InChIKeyVABPUYWCOKMDQV-UHFFFAOYSA-N
XLogP2.49
TPSA115.16 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide (CID 58873868) is 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide is CCNC(=O)c1sc(Nc2nc(CCN)cn3c(-c4cnn(C)c4)cnc23)cc1C.
What is the InChIKey of 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide?
The InChIKey is VABPUYWCOKMDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8OS/c1-4-22-20(29)17-12(2)7-16(30-17)26-18-19-23-9-15(13-8-24-27(3)10-13)28(19)11-14(25-18)5-6-21/h7-11H,4-6,21H2,1-3H3,(H,22,29)(H,25,26).
What are the key properties of 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide?
5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 58873868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).