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

C22H23N7OS — CID 58364852

IUPAC5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxamide
SMILESCc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1C(N)=O
InChIInChI=1S/C22H23N7OS/c1-13-8-18(31-19(13)20(23)30)27-21-22-24-10-17(15-9-25-28(2)11-15)29(22)12-16(26-21)14-6-4-3-5-7-14/h6,8-12H,3-5,7H2,1-2H3,(H2,23,30)(H,26,27)
InChIKeyWZEYMPZXHPHWNJ-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.30
Rot. Bonds5

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

5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxamide (PubChem CID 58364852) has the molecular formula C22H23N7OS and a molecular weight of 433.54 g/mol. Its IUPAC name is 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-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]-3-methylthiophene-2-carboxamide
PubChem CID58364852
Molecular FormulaC22H23N7OS
Molecular Weight433.54 g/mol
Exact Mass433.17
IUPAC Name5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxamide
SMILESCc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1C(N)=O
InChIInChI=1S/C22H23N7OS/c1-13-8-18(31-19(13)20(23)30)27-21-22-24-10-17(15-9-25-28(2)11-15)29(22)12-16(26-21)14-6-4-3-5-7-14/h6,8-12H,3-5,7H2,1-2H3,(H2,23,30)(H,26,27)
InChIKeyWZEYMPZXHPHWNJ-UHFFFAOYSA-N
XLogP4.30
TPSA103.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.30
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]-3-methylthiophene-2-carboxamide with MolForge

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Related Compounds

N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)thiophene-2-carboxamide
CID 7080336
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
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
N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide
CID 127036564
5-(5-ethyl-2-thienyl)-N-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1000253
3-Methyl-N-{5-[3-(thien-2-ylcarbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]thien-2-yl}butanamide
CID 44590722
N-[(1R,2S)-2-aminocyclohexyl]-5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 59603906

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]-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]-3-methylthiophene-2-carboxamide (CID 58364852) is 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-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]-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]-3-methylthiophene-2-carboxamide is Cc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1C(N)=O.
What is the InChIKey of 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxamide?
The InChIKey is WZEYMPZXHPHWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7OS/c1-13-8-18(31-19(13)20(23)30)27-21-22-24-10-17(15-9-25-28(2)11-15)29(22)12-16(26-21)14-6-4-3-5-7-14/h6,8-12H,3-5,7H2,1-2H3,(H2,23,30)(H,26,27).
What are the key properties of 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxamide?
5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxamide has a molecular weight of 433.54 g/mol, XLogP of 4.30, 5 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]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 58364852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).