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

C17H16ClN9 — CID 139358791

IUPAC6-chloro-3-[4-[3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESClc1cn2c(-c3nccc(N4CCNC(c5cn[nH]c5)C4)n3)cnc2cn1
InChIInChI=1S/C17H16ClN9/c18-14-10-27-13(7-22-16(27)8-21-14)17-20-2-1-15(25-17)26-4-3-19-12(9-26)11-5-23-24-6-11/h1-2,5-8,10,12,19H,3-4,9H2,(H,23,24)
InChIKeyULESLJLDTDLWKG-UHFFFAOYSA-N
MW381.83 g/mol
LogP1.71
Rot. Bonds3

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

6-chloro-3-[4-[3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 139358791) has the molecular formula C17H16ClN9 and a molecular weight of 381.83 g/mol. Its IUPAC name is 6-chloro-3-[4-[3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-chloro-3-[4-[3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
PubChem CID139358791
Molecular FormulaC17H16ClN9
Molecular Weight381.83 g/mol
Exact Mass381.12
IUPAC Name6-chloro-3-[4-[3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESClc1cn2c(-c3nccc(N4CCNC(c5cn[nH]c5)C4)n3)cnc2cn1
InChIInChI=1S/C17H16ClN9/c18-14-10-27-13(7-22-16(27)8-21-14)17-20-2-1-15(25-17)26-4-3-19-12(9-26)11-5-23-24-6-11/h1-2,5-8,10,12,19H,3-4,9H2,(H,23,24)
InChIKeyULESLJLDTDLWKG-UHFFFAOYSA-N
XLogP1.71
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.83
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(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
[3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]methanamine
CID 167201790
3-[4-[4-[(4-fluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344857
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
(9aS)-4-(1H-pyrazol-4-yl)-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 139359909
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
6-bromo-3-[4-[2,4-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139359577
3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344867
2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 139344878
(2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine
CID 139344478
(3-hydroxy-3-methylcyclobutyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 139344561

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-[3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-chloro-3-[4-[3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 139358791) is 6-chloro-3-[4-[3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-chloro-3-[4-[3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-chloro-3-[4-[3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is Clc1cn2c(-c3nccc(N4CCNC(c5cn[nH]c5)C4)n3)cnc2cn1.
What is the InChIKey of 6-chloro-3-[4-[3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The InChIKey is ULESLJLDTDLWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN9/c18-14-10-27-13(7-22-16(27)8-21-14)17-20-2-1-15(25-17)26-4-3-19-12(9-26)11-5-23-24-6-11/h1-2,5-8,10,12,19H,3-4,9H2,(H,23,24).
What are the key properties of 6-chloro-3-[4-[3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
6-chloro-3-[4-[3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 381.83 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-[3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139358791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).