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

C25H29N7O2S2 — CID 58364887

IUPACN-cyclobutyl-5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-sulfonamide
SMILESCc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C25H29N7O2S2/c1-16-11-22(35-25(16)36(33,34)30-19-9-6-10-19)29-23-24-26-13-21(18-12-27-31(2)14-18)32(24)15-20(28-23)17-7-4-3-5-8-17/h7,11-15,19,30H,3-6,8-10H2,1-2H3,(H,28,29)
InChIKeyXGJJJYXMFGPSCC-UHFFFAOYSA-N
MW523.69 g/mol
LogP5.03
Rot. Bonds7

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

N-cyclobutyl-5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-sulfonamide (PubChem CID 58364887) has the molecular formula C25H29N7O2S2 and a molecular weight of 523.69 g/mol. Its IUPAC name is N-cyclobutyl-5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-sulfonamide
PubChem CID58364887
Molecular FormulaC25H29N7O2S2
Molecular Weight523.69 g/mol
Exact Mass523.18
IUPAC NameN-cyclobutyl-5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-sulfonamide
SMILESCc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C25H29N7O2S2/c1-16-11-22(35-25(16)36(33,34)30-19-9-6-10-19)29-23-24-26-13-21(18-12-27-31(2)14-18)32(24)15-20(28-23)17-7-4-3-5-8-17/h7,11-15,19,30H,3-6,8-10H2,1-2H3,(H,28,29)
InChIKeyXGJJJYXMFGPSCC-UHFFFAOYSA-N
XLogP5.03
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.69
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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
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-[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
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 N-cyclobutyl-5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-sulfonamide?
The IUPAC name of N-cyclobutyl-5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-sulfonamide (CID 58364887) is N-cyclobutyl-5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-cyclobutyl-5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-sulfonamide?
The canonical SMILES for N-cyclobutyl-5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-sulfonamide is Cc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)NC1CCC1.
What is the InChIKey of N-cyclobutyl-5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-sulfonamide?
The InChIKey is XGJJJYXMFGPSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2S2/c1-16-11-22(35-25(16)36(33,34)30-19-9-6-10-19)29-23-24-26-13-21(18-12-27-31(2)14-18)32(24)15-20(28-23)17-7-4-3-5-8-17/h7,11-15,19,30H,3-6,8-10H2,1-2H3,(H,28,29).
What are the key properties of N-cyclobutyl-5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-sulfonamide?
N-cyclobutyl-5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-sulfonamide has a molecular weight of 523.69 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-sulfonamide is sourced from PubChem (CID 58364887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).