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

C25H29N7O2S2 — CID 58364895

IUPAC5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-cyclopropyl-N,3-dimethylthiophene-2-sulfonamide
SMILESCc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N(C)C1CC1
InChIInChI=1S/C25H29N7O2S2/c1-16-11-22(35-25(16)36(33,34)31(3)19-9-10-19)29-23-24-26-13-21(18-12-27-30(2)14-18)32(24)15-20(28-23)17-7-5-4-6-8-17/h7,11-15,19H,4-6,8-10H2,1-3H3,(H,28,29)
InChIKeyDYZGQYVVOBVAMB-UHFFFAOYSA-N
MW523.69 g/mol
LogP4.98
Rot. Bonds7

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

5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-cyclopropyl-N,3-dimethylthiophene-2-sulfonamide (PubChem CID 58364895) 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-cyclopropyl-N,3-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-cyclopropyl-N,3-dimethylthiophene-2-sulfonamide
PubChem CID58364895
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-cyclopropyl-N,3-dimethylthiophene-2-sulfonamide
SMILESCc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N(C)C1CC1
InChIInChI=1S/C25H29N7O2S2/c1-16-11-22(35-25(16)36(33,34)31(3)19-9-10-19)29-23-24-26-13-21(18-12-27-30(2)14-18)32(24)15-20(28-23)17-7-5-4-6-8-17/h7,11-15,19H,4-6,8-10H2,1-3H3,(H,28,29)
InChIKeyDYZGQYVVOBVAMB-UHFFFAOYSA-N
XLogP4.98
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.69
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

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
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-[1-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidyl]benzothiophene-2-sulfonamide
CID 90115057
1,3,5-Trimethyl-4-({3-[2-(thiophen-3-YL)-3H-imidazo[4,5-B]pyridin-3-YL]pyrrolidin-1-YL}sulfonyl)-1H-pyrazole
CID 83275611
6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine
CID 9956578
6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine
CID 10139181
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
3-(5-butylsulfonylthiophen-2-yl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine
CID 91562714

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-cyclopropyl-N,3-dimethylthiophene-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-cyclopropyl-N,3-dimethylthiophene-2-sulfonamide (CID 58364895) is 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-cyclopropyl-N,3-dimethylthiophene-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-cyclopropyl-N,3-dimethylthiophene-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-cyclopropyl-N,3-dimethylthiophene-2-sulfonamide is Cc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N(C)C1CC1.
What is the InChIKey of 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-cyclopropyl-N,3-dimethylthiophene-2-sulfonamide?
The InChIKey is DYZGQYVVOBVAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2S2/c1-16-11-22(35-25(16)36(33,34)31(3)19-9-10-19)29-23-24-26-13-21(18-12-27-30(2)14-18)32(24)15-20(28-23)17-7-5-4-6-8-17/h7,11-15,19H,4-6,8-10H2,1-3H3,(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-cyclopropyl-N,3-dimethylthiophene-2-sulfonamide?
5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-cyclopropyl-N,3-dimethylthiophene-2-sulfonamide has a molecular weight of 523.69 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 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-cyclopropyl-N,3-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 58364895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).