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

C42H46N14S2 — CID 123689103

IUPACN-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-methyl-1,3-thiazol-5-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine
SMILESCC(C)c1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sn1.Cc1ncc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)s1
InChIInChI=1S/C22H25N7S.C20H21N7S/c1-14(2)17-9-20(30-27-17)26-21-22-23-11-19(16-10-24-28(3)12-16)29(22)13-18(25-21)15-7-5-4-6-8-15;1-13-21-10-18(28-13)25-19-20-22-9-17(15-8-23-26(2)11-15)27(20)12-16(24-19)14-6-4-3-5-7-14/h7,9-14H,4-6,8H2,1-3H3,(H,25,26);6,8-12H,3-5,7H2,1-2H3,(H,24,25)
InChIKeyVPFYKVIVPOTOJD-UHFFFAOYSA-N
MW811.06 g/mol
LogP10.01
Rot. Bonds9

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

N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-methyl-1,3-thiazol-5-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine (PubChem CID 123689103) has the molecular formula C42H46N14S2 and a molecular weight of 811.06 g/mol. Its IUPAC name is N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-methyl-1,3-thiazol-5-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-methyl-1,3-thiazol-5-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine
PubChem CID123689103
Molecular FormulaC42H46N14S2
Molecular Weight811.06 g/mol
Exact Mass810.35
IUPAC NameN-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-methyl-1,3-thiazol-5-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine
SMILESCC(C)c1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sn1.Cc1ncc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)s1
InChIInChI=1S/C22H25N7S.C20H21N7S/c1-14(2)17-9-20(30-27-17)26-21-22-23-11-19(16-10-24-28(3)12-16)29(22)13-18(25-21)15-7-5-4-6-8-15;1-13-21-10-18(28-13)25-19-20-22-9-17(15-8-23-26(2)11-15)27(20)12-16(24-19)14-6-4-3-5-7-14/h7,9-14H,4-6,8H2,1-3H3,(H,25,26);6,8-12H,3-5,7H2,1-2H3,(H,24,25)
InChIKeyVPFYKVIVPOTOJD-UHFFFAOYSA-N
XLogP10.01
TPSA145.86 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500811.06
LogP ≤ 510.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

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

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Related Compounds

N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
CID 11632327
N-[3-[1-(1H-benzimidazol-2-ylmethyl)pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine
CID 59503644
N-[6-methyl-3-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
CID 70683503
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[pyridin-2-yl(pyrrolidin-1-yl)methyl]-1,2-thiazol-5-amine
CID 145970381
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1,3-thiazol-2-ylmethyl)-1,2-thiazol-5-amine
CID 145971147
N-[3-[1-[[5-(3-fluoro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
CID 59503699
6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine
CID 126607552
3-[1-(4-fluorophenyl)sulfanylpyrrolidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 143460535
[2-[4-[6-Methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethanimidoyl] 3-fluoropyridine-4-carboximidothioate
CID 143756103
N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine
CID 11668032
3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 16666227
6-{3-[5-(1H-Tetrazol-5-yl)-thiophen-2-yl]-1-trityl-1H-pyrazol-4-yl}-3-thiazol-2-yl-imidazo[1,2-a]pyridine
CID 22031727

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-methyl-1,3-thiazol-5-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine?
The IUPAC name of N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-methyl-1,3-thiazol-5-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine (CID 123689103) is N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-methyl-1,3-thiazol-5-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-methyl-1,3-thiazol-5-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine?
The canonical SMILES for N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-methyl-1,3-thiazol-5-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine is CC(C)c1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sn1.Cc1ncc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)s1.
What is the InChIKey of N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-methyl-1,3-thiazol-5-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine?
The InChIKey is VPFYKVIVPOTOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7S.C20H21N7S/c1-14(2)17-9-20(30-27-17)26-21-22-23-11-19(16-10-24-28(3)12-16)29(22)13-18(25-21)15-7-5-4-6-8-15;1-13-21-10-18(28-13)25-19-20-22-9-17(15-8-23-26(2)11-15)27(20)12-16(24-19)14-6-4-3-5-7-14/h7,9-14H,4-6,8H2,1-3H3,(H,25,26);6,8-12H,3-5,7H2,1-2H3,(H,24,25).
What are the key properties of N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-methyl-1,3-thiazol-5-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine?
N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-methyl-1,3-thiazol-5-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine has a molecular weight of 811.06 g/mol, XLogP of 10.01, 9 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-methyl-1,3-thiazol-5-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine is sourced from PubChem (CID 123689103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).