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

C20H21ClN8 — CID 161188398

IUPAC6-chloro-3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCC1(C)CN(c2ccnc(-c3cnc4cnc(Cl)cn34)n2)CC(C2=CCN=C2)N1
InChIInChI=1S/C20H21ClN8/c1-20(2)12-28(10-14(27-20)13-3-5-22-7-13)17-4-6-23-19(26-17)15-8-25-18-9-24-16(21)11-29(15)18/h3-4,6-9,11,14,27H,5,10,12H2,1-2H3
InChIKeyUTJUVKOXZAZTAD-UHFFFAOYSA-N
MW408.90 g/mol
LogP2.41
Rot. Bonds3

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

6-chloro-3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 161188398) has the molecular formula C20H21ClN8 and a molecular weight of 408.90 g/mol. Its IUPAC name is 6-chloro-3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-chloro-3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
PubChem CID161188398
Molecular FormulaC20H21ClN8
Molecular Weight408.90 g/mol
Exact Mass408.16
IUPAC Name6-chloro-3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCC1(C)CN(c2ccnc(-c3cnc4cnc(Cl)cn34)n2)CC(C2=CCN=C2)N1
InChIInChI=1S/C20H21ClN8/c1-20(2)12-28(10-14(27-20)13-3-5-22-7-13)17-4-6-23-19(26-17)15-8-25-18-9-24-16(21)11-29(15)18/h3-4,6-9,11,14,27H,5,10,12H2,1-2H3
InChIKeyUTJUVKOXZAZTAD-UHFFFAOYSA-N
XLogP2.41
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.90
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-chloro-3-[4-[3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139358791
3-[4-[3-methoxy-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 157105084
dimethyl-oxo-[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-λ6-sulfane
CID 148757797
3-[4-[4-ethyl-2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 159637451
(2S,3R)-4-[2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine
CID 175064738
6-methyl-3-[4-[3-methyl-5-(3H-pyrrol-5-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 167611218
(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine
CID 139344427
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
(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
(3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol
CID 139357007
6,6-dimethyl-8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane
CID 139344806
[(E)-3-amino-2-[4-[2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methylmorpholin-2-yl]prop-2-enylidene]azanium
CID 153330893

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of 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) is 6-chloro-3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-chloro-3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-chloro-3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is CC1(C)CN(c2ccnc(-c3cnc4cnc(Cl)cn34)n2)CC(C2=CCN=C2)N1.
What is the InChIKey of 6-chloro-3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The InChIKey is UTJUVKOXZAZTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN8/c1-20(2)12-28(10-14(27-20)13-3-5-22-7-13)17-4-6-23-19(26-17)15-8-25-18-9-24-16(21)11-29(15)18/h3-4,6-9,11,14,27H,5,10,12H2,1-2H3.
What are the key properties of 6-chloro-3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
6-chloro-3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 408.90 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 161188398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).