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

C25H29N7O2S2 — CID 58364841

IUPAC5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(cyclopropylmethyl)-3-methylthiophene-2-sulfonamide
SMILESCc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)NCC1CC1
InChIInChI=1S/C25H29N7O2S2/c1-16-10-22(35-25(16)36(33,34)28-11-17-8-9-17)30-23-24-26-13-21(19-12-27-31(2)14-19)32(24)15-20(29-23)18-6-4-3-5-7-18/h6,10,12-15,17,28H,3-5,7-9,11H2,1-2H3,(H,29,30)
InChIKeyYBWXZDRPUVKCQU-UHFFFAOYSA-N
MW523.69 g/mol
LogP4.89
Rot. Bonds8

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

5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(cyclopropylmethyl)-3-methylthiophene-2-sulfonamide (PubChem CID 58364841) has the molecular formula C25H29N7O2S2 and a molecular weight of 523.69 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-(cyclopropylmethyl)-3-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(cyclopropylmethyl)-3-methylthiophene-2-sulfonamide
PubChem CID58364841
Molecular FormulaC25H29N7O2S2
Molecular Weight523.69 g/mol
Exact Mass523.18
IUPAC Name5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(cyclopropylmethyl)-3-methylthiophene-2-sulfonamide
SMILESCc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)NCC1CC1
InChIInChI=1S/C25H29N7O2S2/c1-16-10-22(35-25(16)36(33,34)28-11-17-8-9-17)30-23-24-26-13-21(19-12-27-31(2)14-19)32(24)15-20(29-23)18-6-4-3-5-7-18/h6,10,12-15,17,28H,3-5,7-9,11H2,1-2H3,(H,29,30)
InChIKeyYBWXZDRPUVKCQU-UHFFFAOYSA-N
XLogP4.89
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.69
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 16666228
3-(1-methylsulfonylpiperidin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 56666399
N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine
CID 56679965
3-[5-(1-Methylpyrazol-4-yl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
CID 164614398
3-[5-(1-Methylpyrazol-4-yl)thiophen-2-yl]-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
CID 164626691
N-[2-[4-(4-thiophen-2-yl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)pyrazol-1-yl]ethyl]propane-1-sulfonamide
CID 164625764
5-ethyl-N-[1-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidyl]thiophene-2-sulfonamide
CID 90001370
5-methyl-N-[1-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidyl]thiophene-2-sulfonamide
CID 90114314
4-methyl-N-[1-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidyl]thiophene-2-sulfonamide
CID 90114445
N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)-1-((6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl)-1H-pyrazole-4-sulfonamide
CID 156152306
6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine
CID 9956578
3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 58873897

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-(cyclopropylmethyl)-3-methylthiophene-2-sulfonamide?
The IUPAC name of 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(cyclopropylmethyl)-3-methylthiophene-2-sulfonamide (CID 58364841) is 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(cyclopropylmethyl)-3-methylthiophene-2-sulfonamide.
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-(cyclopropylmethyl)-3-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(cyclopropylmethyl)-3-methylthiophene-2-sulfonamide is Cc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)NCC1CC1.
What is the InChIKey of 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(cyclopropylmethyl)-3-methylthiophene-2-sulfonamide?
The InChIKey is YBWXZDRPUVKCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2S2/c1-16-10-22(35-25(16)36(33,34)28-11-17-8-9-17)30-23-24-26-13-21(19-12-27-31(2)14-19)32(24)15-20(29-23)18-6-4-3-5-7-18/h6,10,12-15,17,28H,3-5,7-9,11H2,1-2H3,(H,29,30).
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-(cyclopropylmethyl)-3-methylthiophene-2-sulfonamide?
5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(cyclopropylmethyl)-3-methylthiophene-2-sulfonamide has a molecular weight of 523.69 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 9 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-(cyclopropylmethyl)-3-methylthiophene-2-sulfonamide is sourced from PubChem (CID 58364841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).