4-bromo-3-methyl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

C14H14BrN7S — CID 143460693

IUPAC4-bromo-3-methyl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1nsc(Nc2nccn3c(C4=CN(C)NC4)cnc23)c1Br
InChIInChI=1S/C14H14BrN7S/c1-8-11(15)14(23-20-8)19-12-13-17-6-10(22(13)4-3-16-12)9-5-18-21(2)7-9/h3-4,6-7,18H,5H2,1-2H3,(H,16,19)
InChIKeyKROULYPKNCEZNU-UHFFFAOYSA-N
MW392.29 g/mol
LogP2.79
Rot. Bonds3

About 4-bromo-3-methyl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

4-bromo-3-methyl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 143460693) has the molecular formula C14H14BrN7S and a molecular weight of 392.29 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-bromo-3-methyl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID143460693
Molecular FormulaC14H14BrN7S
Molecular Weight392.29 g/mol
Exact Mass391.02
IUPAC Name4-bromo-3-methyl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1nsc(Nc2nccn3c(C4=CN(C)NC4)cnc23)c1Br
InChIInChI=1S/C14H14BrN7S/c1-8-11(15)14(23-20-8)19-12-13-17-6-10(22(13)4-3-16-12)9-5-18-21(2)7-9/h3-4,6-7,18H,5H2,1-2H3,(H,16,19)
InChIKeyKROULYPKNCEZNU-UHFFFAOYSA-N
XLogP2.79
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]pyridine-3-carboxamide
CID 143461046
N-[3-(1,2-dimethyl-3H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 143464914
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-(2,3-dihydro-1H-pyrazol-4-yl)-N-pyridin-4-ylimidazo[1,2-a]pyrazin-8-amine
CID 143460953
3-(2,3-dihydro-1H-pyrazol-4-yl)-8-methylimidazo[1,2-a]pyrazine
CID 143756408
3-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 58873815
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 71196494
ethane;N-[2-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrazol-3-yl]-3-[2-(methylamino)-1,5-dihydropyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine
CID 143461179
3-(2,3-dihydro-1H-pyrazol-4-yl)-N-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 58879989
3-bromo-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine
CID 21070914
3-(1-aminopyrazol-4-yl)-N-(1-methyl-2H-pyridin-3-yl)imidazo[1,2-a]pyrazin-8-amine
CID 71193585
ethane;3-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)imidazo[1,2-a]pyrazin-8-amine
CID 143464724

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of 4-bromo-3-methyl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 143460693) is 4-bromo-3-methyl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 4-bromo-3-methyl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 4-bromo-3-methyl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is Cc1nsc(Nc2nccn3c(C4=CN(C)NC4)cnc23)c1Br.
What is the InChIKey of 4-bromo-3-methyl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is KROULYPKNCEZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN7S/c1-8-11(15)14(23-20-8)19-12-13-17-6-10(22(13)4-3-16-12)9-5-18-21(2)7-9/h3-4,6-7,18H,5H2,1-2H3,(H,16,19).
What are the key properties of 4-bromo-3-methyl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
4-bromo-3-methyl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 392.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 143460693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).