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

C24H27N7OS — CID 58364829

IUPAC5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)cc1C
InChIInChI=1S/C24H27N7OS/c1-4-25-24(32)21-15(2)10-20(33-21)29-22-23-26-12-19(17-11-27-30(3)13-17)31(23)14-18(28-22)16-8-6-5-7-9-16/h8,10-14H,4-7,9H2,1-3H3,(H,25,32)(H,28,29)
InChIKeyKERPLZKGLZNYLM-UHFFFAOYSA-N
MW461.60 g/mol
LogP4.95
Rot. Bonds6

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

5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide (PubChem CID 58364829) has the molecular formula C24H27N7OS and a molecular weight of 461.60 g/mol. Its IUPAC name is 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide
PubChem CID58364829
Molecular FormulaC24H27N7OS
Molecular Weight461.60 g/mol
Exact Mass461.20
IUPAC Name5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)cc1C
InChIInChI=1S/C24H27N7OS/c1-4-25-24(32)21-15(2)10-20(33-21)29-22-23-26-12-19(17-11-27-30(3)13-17)31(23)14-18(28-22)16-8-6-5-7-9-16/h8,10-14H,4-7,9H2,1-3H3,(H,25,32)(H,28,29)
InChIKeyKERPLZKGLZNYLM-UHFFFAOYSA-N
XLogP4.95
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.60
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-((1R,6R)-6-Amino-2,2-difluorocyclohexyl)-5-methyl-4-(6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
CID 25141108
N-[(1R,2S)-2-aminocyclohexyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 59603842
Mark-IN-4
CID 68776463
US11098041, Example 132
CID 121249676
US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 105
CID 134540034
US10100058, Example 228
CID 134540119
N-[2-(dimethylamino)ethyl]-3-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)benzamide
CID 137227337
4-N-[(4-cyano-1,3-thiazol-2-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469617
1-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469815
5-butyl-N-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 72165163

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(cyclohexen-1-yl)-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-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide (CID 58364829) is 5-[[6-(cyclohexen-1-yl)-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-(cyclohexen-1-yl)-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-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide is CCNC(=O)c1sc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)cc1C.
What is the InChIKey of 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide?
The InChIKey is KERPLZKGLZNYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7OS/c1-4-25-24(32)21-15(2)10-20(33-21)29-22-23-26-12-19(17-11-27-30(3)13-17)31(23)14-18(28-22)16-8-6-5-7-9-16/h8,10-14H,4-7,9H2,1-3H3,(H,25,32)(H,28,29).
What are the key properties of 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide?
5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide has a molecular weight of 461.60 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethyl-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 58364829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).