3-tert-butyl-N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

C23H27N7S — CID 58364934

IUPAC3-tert-butyl-N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCn1cc(-c2cnc3c(Nc4cc(C(C)(C)C)ns4)nc(C4=CCCCC4)cn23)cn1
InChIInChI=1S/C23H27N7S/c1-23(2,3)19-10-20(31-28-19)27-21-22-24-12-18(16-11-25-29(4)13-16)30(22)14-17(26-21)15-8-6-5-7-9-15/h8,10-14H,5-7,9H2,1-4H3,(H,26,27)
InChIKeyRBQTUVASCHYDGC-UHFFFAOYSA-N
MW433.59 g/mol
LogP5.58
Rot. Bonds4

About 3-tert-butyl-N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

3-tert-butyl-N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 58364934) has the molecular formula C23H27N7S and a molecular weight of 433.59 g/mol. Its IUPAC name is 3-tert-butyl-N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID58364934
Molecular FormulaC23H27N7S
Molecular Weight433.59 g/mol
Exact Mass433.20
IUPAC Name3-tert-butyl-N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCn1cc(-c2cnc3c(Nc4cc(C(C)(C)C)ns4)nc(C4=CCCCC4)cn23)cn1
InChIInChI=1S/C23H27N7S/c1-23(2,3)19-10-20(31-28-19)27-21-22-24-12-18(16-11-25-29(4)13-16)30(22)14-17(26-21)15-8-6-5-7-9-15/h8,10-14H,5-7,9H2,1-4H3,(H,26,27)
InChIKeyRBQTUVASCHYDGC-UHFFFAOYSA-N
XLogP5.58
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.59
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-tert-butyl-N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine with MolForge

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Related Compounds

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;6-(cyclohexen-1-yl)-N-(4-methyl-5-morpholin-4-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-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
CID 123704320
N-[3,6-bis(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-(3,6-dibromoimidazo[1,2-a]pyrazin-8-yl)-3-methyl-1,2-thiazol-5-amine
CID 157371798
N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine
CID 58873936
N-[4-methyl-5-(2-methyl-1,5-dihydropyrazol-4-yl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine
CID 143460462
4-[3-(1-methylpyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]butanamide
CID 58364896
N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
CID 58873979
tert-butyl 5-[8-[[5-[(dimethylamino)methyl]-4-methylthiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 143460595
3-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 58873815
tert-butyl 5-[8-[[5-(cyclopropylsulfamoyl)-4-methylthiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58873884
3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 25094328
3-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyrrolidin-1-ylsulfonyl-2,3-dihydrothiophen-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine
CID 89360215
3-(1-methylpyrazol-4-yl)-N-[4-(4H-pyrimidin-1-yl)phenyl]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine
CID 143461145

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 58364934) is 3-tert-butyl-N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is Cn1cc(-c2cnc3c(Nc4cc(C(C)(C)C)ns4)nc(C4=CCCCC4)cn23)cn1.
What is the InChIKey of 3-tert-butyl-N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is RBQTUVASCHYDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7S/c1-23(2,3)19-10-20(31-28-19)27-21-22-24-12-18(16-11-25-29(4)13-16)30(22)14-17(26-21)15-8-6-5-7-9-15/h8,10-14H,5-7,9H2,1-4H3,(H,26,27).
What are the key properties of 3-tert-butyl-N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-tert-butyl-N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 433.59 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 58364934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).