5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-carboxamide

C28H34N8O3S2 — CID 58364780

IUPAC5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C28H34N8O3S2/c1-18-13-24(40-25(18)28(37)31-21-9-11-35(12-10-21)41(3,38)39)33-26-27-29-15-23(20-14-30-34(2)16-20)36(27)17-22(32-26)19-7-5-4-6-8-19/h7,13-17,21H,4-6,8-12H2,1-3H3,(H,31,37)(H,32,33)
InChIKeyFUJJGMFOXOISAC-UHFFFAOYSA-N
MW594.77 g/mol
LogP4.35
Rot. Bonds7

About 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-carboxamide

5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 58364780) has the molecular formula C28H34N8O3S2 and a molecular weight of 594.77 g/mol. Its IUPAC name is 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID58364780
Molecular FormulaC28H34N8O3S2
Molecular Weight594.77 g/mol
Exact Mass594.22
IUPAC Name5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C28H34N8O3S2/c1-18-13-24(40-25(18)28(37)31-21-9-11-35(12-10-21)41(3,38)39)33-26-27-29-15-23(20-14-30-34(2)16-20)36(27)17-22(32-26)19-7-5-4-6-8-19/h7,13-17,21H,4-6,8-12H2,1-3H3,(H,31,37)(H,32,33)
InChIKeyFUJJGMFOXOISAC-UHFFFAOYSA-N
XLogP4.35
TPSA126.52 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.77
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 105
CID 134540034
US10100058, Example 228
CID 134540119
US10100058, Example 275
CID 134539929
2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 59503744
US10100058, Example 1
CID 134539527
US10100058, Example 36
CID 134539804
US10100058, Example 232
CID 134539755
N-[(2R)-2-(diethylamino)propyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 145965594
N-[2-(diethylamino)ethyl]-8-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 145966266
N-[(2S)-1-(diethylamino)propan-2-yl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 145966912

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]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-carboxamide (CID 58364780) is 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-carboxamide is Cc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1C(=O)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is FUJJGMFOXOISAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8O3S2/c1-18-13-24(40-25(18)28(37)31-21-9-11-35(12-10-21)41(3,38)39)33-26-27-29-15-23(20-14-30-34(2)16-20)36(27)17-22(32-26)19-7-5-4-6-8-19/h7,13-17,21H,4-6,8-12H2,1-3H3,(H,31,37)(H,32,33).
What are the key properties of 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-carboxamide?
5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 594.77 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 10 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]-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 58364780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).