6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine

C25H29N7O2S2 — CID 58364822

IUPAC6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C25H29N7O2S2/c1-17-12-22(35-25(17)36(33,34)31-10-6-7-11-31)29-23-24-26-14-21(19-13-27-30(2)15-19)32(24)16-20(28-23)18-8-4-3-5-9-18/h8,12-16H,3-7,9-11H2,1-2H3,(H,28,29)
InChIKeyIZNCATKLSBHHJI-UHFFFAOYSA-N
MW523.69 g/mol
LogP4.99
Rot. Bonds6

About 6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine

6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 58364822) has the molecular formula C25H29N7O2S2 and a molecular weight of 523.69 g/mol. Its IUPAC name is 6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID58364822
Molecular FormulaC25H29N7O2S2
Molecular Weight523.69 g/mol
Exact Mass523.18
IUPAC Name6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C25H29N7O2S2/c1-17-12-22(35-25(17)36(33,34)31-10-6-7-11-31)29-23-24-26-14-21(19-13-27-30(2)15-19)32(24)16-20(28-23)18-8-4-3-5-9-18/h8,12-16H,3-7,9-11H2,1-2H3,(H,28,29)
InChIKeyIZNCATKLSBHHJI-UHFFFAOYSA-N
XLogP4.99
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.69
LogP ≤ 54.99
H-Bond Donors ≤ 51
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
7-(1-Methylpyrazol-4-yl)-3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]imidazo[1,2-a]pyridine
CID 164620635
3-[5-(1-Methylpyrazol-4-yl)thiophen-2-yl]-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
CID 164626691
6-(1-Methylpyrazol-4-yl)-3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]imidazo[1,2-a]pyridine
CID 164628749
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
1,3,5-Trimethyl-4-({3-[2-(thiophen-2-YL)-3H-imidazo[4,5-B]pyridin-3-YL]pyrrolidin-1-YL}sulfonyl)-1H-pyrazole
CID 53186980
1-Ethyl-4-({3-[2-(thiophen-2-YL)-3H-imidazo[4,5-B]pyridin-3-YL]pyrrolidin-1-YL}sulfonyl)-1H-pyrazole
CID 53186982

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine (CID 58364822) is 6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine is Cc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is IZNCATKLSBHHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2S2/c1-17-12-22(35-25(17)36(33,34)31-10-6-7-11-31)29-23-24-26-14-21(19-13-27-30(2)15-19)32(24)16-20(28-23)18-8-4-3-5-9-18/h8,12-16H,3-7,9-11H2,1-2H3,(H,28,29).
What are the key properties of 6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine?
6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 523.69 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 58364822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).