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

C28H24Br2N14S2 — CID 157371798

IUPACN-[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
SMILESCc1cc(Nc2nc(-c3cnn(C)c3)cn3c(-c4cnn(C)c4)cnc23)sn1.Cc1cc(Nc2nc(Br)cn3c(Br)cnc23)sn1
InChIInChI=1S/C18H17N9S.C10H7Br2N5S/c1-11-4-16(28-24-11)23-17-18-19-7-15(13-6-21-26(3)9-13)27(18)10-14(22-17)12-5-20-25(2)8-12;1-5-2-8(18-16-5)15-9-10-13-3-7(12)17(10)4-6(11)14-9/h4-10H,1-3H3,(H,22,23);2-4H,1H3,(H,14,15)
InChIKeyBJVVMTSABYUDRT-UHFFFAOYSA-N
MW780.54 g/mol
LogP6.80
Rot. Bonds6

About 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

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 (PubChem CID 157371798) has the molecular formula C28H24Br2N14S2 and a molecular weight of 780.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID157371798
Molecular FormulaC28H24Br2N14S2
Molecular Weight780.54 g/mol
Exact Mass778.01
IUPAC NameN-[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
SMILESCc1cc(Nc2nc(-c3cnn(C)c3)cn3c(-c4cnn(C)c4)cnc23)sn1.Cc1cc(Nc2nc(Br)cn3c(Br)cnc23)sn1
InChIInChI=1S/C18H17N9S.C10H7Br2N5S/c1-11-4-16(28-24-11)23-17-18-19-7-15(13-6-21-26(3)9-13)27(18)10-14(22-17)12-5-20-25(2)8-12;1-5-2-8(18-16-5)15-9-10-13-3-7(12)17(10)4-6(11)14-9/h4-10H,1-3H3,(H,22,23);2-4H,1H3,(H,14,15)
InChIKeyBJVVMTSABYUDRT-UHFFFAOYSA-N
XLogP6.80
TPSA145.86 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500780.54
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

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
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
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
N-[6-bromo-3-(1,6-dihydropyridazin-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
CID 143460943
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
3-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 58873815
4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazole-1-carboxamide
CID 58874073
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
N-[6-cyclopropylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;ethane
CID 143670531
3-(2-methyl-1,5-dihydropyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide
CID 143465275
3,6-dibromo-N-methylimidazo[1,2-a]pyrazin-8-amine
CID 14207597
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Nc2nc(-c3cnn(C)c3)cn3c(-c4cnn(C)c4)cnc23)sn1.Cc1cc(Nc2nc(Br)cn3c(Br)cnc23)sn1.
What is the InChIKey of 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?
The InChIKey is BJVVMTSABYUDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N9S.C10H7Br2N5S/c1-11-4-16(28-24-11)23-17-18-19-7-15(13-6-21-26(3)9-13)27(18)10-14(22-17)12-5-20-25(2)8-12;1-5-2-8(18-16-5)15-9-10-13-3-7(12)17(10)4-6(11)14-9/h4-10H,1-3H3,(H,22,23);2-4H,1H3,(H,14,15).
What are the key properties of 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?
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 has a molecular weight of 780.54 g/mol, XLogP of 6.80, 6 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157371798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).