2-[4-[3-chloro-8-[(2R)-2-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone

C19H20ClF3N8O — CID 172621762

IUPAC2-[4-[3-chloro-8-[(2R)-2-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone
SMILESO=C(Cn1cc(-c2cn3c(Cl)cnc3c(N3CC[C@@H]3C(F)(F)F)n2)cn1)N1CCNCC1
InChIInChI=1S/C19H20ClF3N8O/c20-15-8-25-17-18(30-4-1-14(30)19(21,22)23)27-13(10-31(15)17)12-7-26-29(9-12)11-16(32)28-5-2-24-3-6-28/h7-10,14,24H,1-6,11H2/t14-/m1/s1
InChIKeyJQHGUSAWERLISP-CQSZACIVSA-N
MW468.87 g/mol
LogP1.82
Rot. Bonds4

About 2-[4-[3-chloro-8-[(2R)-2-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone

2-[4-[3-chloro-8-[(2R)-2-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone (PubChem CID 172621762) has the molecular formula C19H20ClF3N8O and a molecular weight of 468.87 g/mol. Its IUPAC name is 2-[4-[3-chloro-8-[(2R)-2-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[3-chloro-8-[(2R)-2-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone
PubChem CID172621762
Molecular FormulaC19H20ClF3N8O
Molecular Weight468.87 g/mol
Exact Mass468.14
IUPAC Name2-[4-[3-chloro-8-[(2R)-2-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone
SMILESO=C(Cn1cc(-c2cn3c(Cl)cnc3c(N3CC[C@@H]3C(F)(F)F)n2)cn1)N1CCNCC1
InChIInChI=1S/C19H20ClF3N8O/c20-15-8-25-17-18(30-4-1-14(30)19(21,22)23)27-13(10-31(15)17)12-7-26-29(9-12)11-16(32)28-5-2-24-3-6-28/h7-10,14,24H,1-6,11H2/t14-/m1/s1
InChIKeyJQHGUSAWERLISP-CQSZACIVSA-N
XLogP1.82
TPSA83.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.87
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[3-chloro-8-[(2R)-2-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone with MolForge

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Related Compounds

2-[4-[8-(azetidin-1-yl)-3-chloroimidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone
CID 172621797
2-[4-[8-[(2S)-2-methylazetidin-1-yl]-5-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone
CID 172621636
2-[4-[5-cyclopropyl-2-[(2R)-2-(difluoromethyl)azetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone
CID 172541766
2-(4-bromopyrazol-1-yl)-1-piperazin-1-ylethanone;dihydrochloride
CID 121226431
2-[1-[8-[(2S)-2-methylazetidin-1-yl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-3-yl]-1-piperazin-1-ylethanone
CID 172621756
2-(4-pyrimidin-4-ylpyrazol-1-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 167958877
2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone
CID 94758676
2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone
CID 71808815
2-[4-[5-cyano-6-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]acetic acid
CID 155385397
1-[2-oxo-2-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethyl]pyrazole-4-carboxylic acid
CID 19622377
2-[3-[6-methyl-2-[(2S)-2-methylazetidin-1-yl]pyrimidin-4-yl]pyrrol-1-yl]-1-piperazin-1-ylethanone
CID 158987055
2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-1-morpholin-4-ylethanone
CID 90288987

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-chloro-8-[(2R)-2-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[4-[3-chloro-8-[(2R)-2-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone (CID 172621762) is 2-[4-[3-chloro-8-[(2R)-2-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[4-[3-chloro-8-[(2R)-2-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[4-[3-chloro-8-[(2R)-2-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone is O=C(Cn1cc(-c2cn3c(Cl)cnc3c(N3CC[C@@H]3C(F)(F)F)n2)cn1)N1CCNCC1.
What is the InChIKey of 2-[4-[3-chloro-8-[(2R)-2-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone?
The InChIKey is JQHGUSAWERLISP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20ClF3N8O/c20-15-8-25-17-18(30-4-1-14(30)19(21,22)23)27-13(10-31(15)17)12-7-26-29(9-12)11-16(32)28-5-2-24-3-6-28/h7-10,14,24H,1-6,11H2/t14-/m1/s1.
What are the key properties of 2-[4-[3-chloro-8-[(2R)-2-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone?
2-[4-[3-chloro-8-[(2R)-2-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone has a molecular weight of 468.87 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-chloro-8-[(2R)-2-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone is sourced from PubChem (CID 172621762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).