6-bromo-3-[4-[4-ethyl-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;methane

C39H44Br2N18 — CID 158830747

IUPAC6-bromo-3-[4-[4-ethyl-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;methane
SMILESC.CC1C(c2cn[nH]c2)NCCN1c1ccnc(-c2cnc3cnc(Br)cn23)n1.CCN1CCN(c2ccnc(-c3cnc4cnc(Br)cn34)n2)C(C)C1c1cn[nH]c1
InChIInChI=1S/C20H22BrN9.C18H18BrN9.CH4/c1-3-28-6-7-29(13(2)19(28)14-8-25-26-9-14)17-4-5-22-20(27-17)15-10-24-18-11-23-16(21)12-30(15)18;1-11-17(12-6-24-25-7-12)20-4-5-27(11)15-2-3-21-18(26-15)13-8-23-16-9-22-14(19)10-28(13)16;/h4-5,8-13,19H,3,6-7H2,1-2H3,(H,25,26);2-3,6-11,17,20H,4-5H2,1H3,(H,24,25);1H4
InChIKeyIWZZGAUWRMPPRW-UHFFFAOYSA-N
MW924.71 g/mol
LogP5.79
Rot. Bonds7

About 6-bromo-3-[4-[4-ethyl-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;methane

6-bromo-3-[4-[4-ethyl-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;methane (PubChem CID 158830747) has the molecular formula C39H44Br2N18 and a molecular weight of 924.71 g/mol. Its IUPAC name is 6-bromo-3-[4-[4-ethyl-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;methane.

Molecular Properties

Compound Name6-bromo-3-[4-[4-ethyl-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;methane
PubChem CID158830747
Molecular FormulaC39H44Br2N18
Molecular Weight924.71 g/mol
Exact Mass922.24
IUPAC Name6-bromo-3-[4-[4-ethyl-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;methane
SMILESC.CC1C(c2cn[nH]c2)NCCN1c1ccnc(-c2cnc3cnc(Br)cn23)n1.CCN1CCN(c2ccnc(-c3cnc4cnc(Br)cn34)n2)C(C)C1c1cn[nH]c1
InChIInChI=1S/C20H22BrN9.C18H18BrN9.CH4/c1-3-28-6-7-29(13(2)19(28)14-8-25-26-9-14)17-4-5-22-20(27-17)15-10-24-18-11-23-16(21)12-30(15)18;1-11-17(12-6-24-25-7-12)20-4-5-27(11)15-2-3-21-18(26-15)13-8-23-16-9-22-14(19)10-28(13)16;/h4-5,8-13,19H,3,6-7H2,1-2H3,(H,25,26);2-3,6-11,17,20H,4-5H2,1H3,(H,24,25);1H4
InChIKeyIWZZGAUWRMPPRW-UHFFFAOYSA-N
XLogP5.79
TPSA191.05 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500924.71
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 6-bromo-3-[4-[4-ethyl-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;methane with MolForge

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Related Compounds

3-[4-[(8aS)-4-(1H-pyrazol-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343447
3-[4-[4-ethyl-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343506
3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343565
3-[4-[2-methyl-5-propan-2-yl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343726
3-[4-(azetidin-1-yl)-6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139344011
3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358005
3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358235
6-(difluoromethyl)-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139358514
3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358797
3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358926
6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine
CID 139359074
6-(trifluoromethyl)-3-[4-[2,3,6-trimethyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139359111

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[4-[4-ethyl-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;methane?
The IUPAC name of 6-bromo-3-[4-[4-ethyl-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;methane (CID 158830747) is 6-bromo-3-[4-[4-ethyl-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;methane.
What is the SMILES notation for 6-bromo-3-[4-[4-ethyl-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;methane?
The canonical SMILES for 6-bromo-3-[4-[4-ethyl-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;methane is C.CC1C(c2cn[nH]c2)NCCN1c1ccnc(-c2cnc3cnc(Br)cn23)n1.CCN1CCN(c2ccnc(-c3cnc4cnc(Br)cn34)n2)C(C)C1c1cn[nH]c1.
What is the InChIKey of 6-bromo-3-[4-[4-ethyl-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;methane?
The InChIKey is IWZZGAUWRMPPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN9.C18H18BrN9.CH4/c1-3-28-6-7-29(13(2)19(28)14-8-25-26-9-14)17-4-5-22-20(27-17)15-10-24-18-11-23-16(21)12-30(15)18;1-11-17(12-6-24-25-7-12)20-4-5-27(11)15-2-3-21-18(26-15)13-8-23-16-9-22-14(19)10-28(13)16;/h4-5,8-13,19H,3,6-7H2,1-2H3,(H,25,26);2-3,6-11,17,20H,4-5H2,1H3,(H,24,25);1H4.
What are the key properties of 6-bromo-3-[4-[4-ethyl-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;methane?
6-bromo-3-[4-[4-ethyl-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;methane has a molecular weight of 924.71 g/mol, XLogP of 5.79, 7 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[4-[4-ethyl-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;methane is sourced from PubChem (CID 158830747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).