6-methyl-3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine

C20H22N8 — CID 167611218

IUPAC6-methyl-3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCc1cn2c(-c3nccc(N4CC(C)NC(C5=CCC=N5)C4)n3)cnc2cn1
InChIInChI=1S/C20H22N8/c1-13-11-28-17(8-24-19(28)9-23-13)20-22-7-5-18(26-20)27-10-14(2)25-16(12-27)15-4-3-6-21-15/h4-9,11,14,16,25H,3,10,12H2,1-2H3
InChIKeyLBTDEUUEOKWCTP-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.02
Rot. Bonds3

About 6-methyl-3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine

6-methyl-3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 167611218) has the molecular formula C20H22N8 and a molecular weight of 374.45 g/mol. Its IUPAC name is 6-methyl-3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-methyl-3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
PubChem CID167611218
Molecular FormulaC20H22N8
Molecular Weight374.45 g/mol
Exact Mass374.20
IUPAC Name6-methyl-3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCc1cn2c(-c3nccc(N4CC(C)NC(C5=CCC=N5)C4)n3)cnc2cn1
InChIInChI=1S/C20H22N8/c1-13-11-28-17(8-24-19(28)9-23-13)20-22-7-5-18(26-20)27-10-14(2)25-16(12-27)15-4-3-6-21-15/h4-9,11,14,16,25H,3,10,12H2,1-2H3
InChIKeyLBTDEUUEOKWCTP-UHFFFAOYSA-N
XLogP2.02
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-[(3R,5R)-3-methyl-5-(3-methylimidazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 153418447
3-[4-[3-(5-chloro-1H-pyrazol-4-yl)-5-methylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343602
bis(6-bromo-3-[4-[2,5-dimethyl-3-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);3-[4-[3-(2H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-6-(3H-pyrrol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
CID 159300050
(Z)-4-imino-3-[6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]pent-2-en-2-amine
CID 139357775
(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine
CID 139344427
6-chloro-3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 161188398
6-(difluoromethyl)-3-[4-(3-methylazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 153331406
(Z)-2-[4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine
CID 139358440
6-chloro-3-[4-[3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139358791
(Z)-3-[4-[2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]-4-iminobut-2-en-2-amine
CID 139357934
3-[4-[2-methyl-6-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile
CID 139359694
(2R,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
CID 152617043

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-methyl-3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 167611218) is 6-methyl-3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-methyl-3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-methyl-3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is Cc1cn2c(-c3nccc(N4CC(C)NC(C5=CCC=N5)C4)n3)cnc2cn1.
What is the InChIKey of 6-methyl-3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The InChIKey is LBTDEUUEOKWCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8/c1-13-11-28-17(8-24-19(28)9-23-13)20-22-7-5-18(26-20)27-10-14(2)25-16(12-27)15-4-3-6-21-15/h4-9,11,14,16,25H,3,10,12H2,1-2H3.
What are the key properties of 6-methyl-3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
6-methyl-3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 374.45 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 167611218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).