N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine

C24H27N7O2S2 — CID 58364706

IUPACN-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N1CCC1
InChIInChI=1S/C24H27N7O2S2/c1-16-11-21(34-24(16)35(32,33)30-9-6-10-30)28-22-23-25-13-20(18-12-26-29(2)14-18)31(23)15-19(27-22)17-7-4-3-5-8-17/h7,11-15H,3-6,8-10H2,1-2H3,(H,27,28)
InChIKeyOWAMJXDDFWBKGH-UHFFFAOYSA-N
MW509.66 g/mol
LogP4.60
Rot. Bonds6

About N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine

N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 58364706) has the molecular formula C24H27N7O2S2 and a molecular weight of 509.66 g/mol. Its IUPAC name is N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID58364706
Molecular FormulaC24H27N7O2S2
Molecular Weight509.66 g/mol
Exact Mass509.17
IUPAC NameN-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N1CCC1
InChIInChI=1S/C24H27N7O2S2/c1-16-11-21(34-24(16)35(32,33)30-9-6-10-30)28-22-23-25-13-20(18-12-26-29(2)14-18)31(23)15-19(27-22)17-7-4-3-5-8-17/h7,11-15H,3-6,8-10H2,1-2H3,(H,27,28)
InChIKeyOWAMJXDDFWBKGH-UHFFFAOYSA-N
XLogP4.60
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.66
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine 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
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
6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridine
CID 10139182

Frequently Asked Questions

What is the IUPAC name of N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine (CID 58364706) is N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine is Cc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N1CCC1.
What is the InChIKey of N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is OWAMJXDDFWBKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2S2/c1-16-11-21(34-24(16)35(32,33)30-9-6-10-30)28-22-23-25-13-20(18-12-26-29(2)14-18)31(23)15-19(27-22)17-7-4-3-5-8-17/h7,11-15H,3-6,8-10H2,1-2H3,(H,27,28).
What are the key properties of N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 509.66 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 58364706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).