2-[4-[8-[(2S)-2-methylazetidin-1-yl]-5-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone

C20H23F3N8O — CID 172621636

IUPAC2-[4-[8-[(2S)-2-methylazetidin-1-yl]-5-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone
SMILESC[C@H]1CCN1c1nc(-c2cnn(CC(=O)N3CCNCC3)c2)c(C(F)(F)F)n2ccnc12
InChIInChI=1S/C20H23F3N8O/c1-13-2-6-30(13)19-18-25-5-9-31(18)17(20(21,22)23)16(27-19)14-10-26-29(11-14)12-15(32)28-7-3-24-4-8-28/h5,9-11,13,24H,2-4,6-8,12H2,1H3/t13-/m0/s1
InChIKeyQULKLUPEDFLXFF-ZDUSSCGKSA-N
MW448.45 g/mol
LogP1.64
Rot. Bonds4

About 2-[4-[8-[(2S)-2-methylazetidin-1-yl]-5-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone

2-[4-[8-[(2S)-2-methylazetidin-1-yl]-5-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone (PubChem CID 172621636) has the molecular formula C20H23F3N8O and a molecular weight of 448.45 g/mol. Its IUPAC name is 2-[4-[8-[(2S)-2-methylazetidin-1-yl]-5-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[8-[(2S)-2-methylazetidin-1-yl]-5-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone
PubChem CID172621636
Molecular FormulaC20H23F3N8O
Molecular Weight448.45 g/mol
Exact Mass448.19
IUPAC Name2-[4-[8-[(2S)-2-methylazetidin-1-yl]-5-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone
SMILESC[C@H]1CCN1c1nc(-c2cnn(CC(=O)N3CCNCC3)c2)c(C(F)(F)F)n2ccnc12
InChIInChI=1S/C20H23F3N8O/c1-13-2-6-30(13)19-18-25-5-9-31(18)17(20(21,22)23)16(27-19)14-10-26-29(11-14)12-15(32)28-7-3-24-4-8-28/h5,9-11,13,24H,2-4,6-8,12H2,1H3/t13-/m0/s1
InChIKeyQULKLUPEDFLXFF-ZDUSSCGKSA-N
XLogP1.64
TPSA83.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[8-[(2S)-2-methylazetidin-1-yl]-5-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone with MolForge

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Related Compounds

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
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-[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-[8-(azetidin-1-yl)-3-chloroimidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone
CID 172621797
2-[3-[6-methyl-2-[(2S)-2-methylazetidin-1-yl]pyrimidin-4-yl]pyrrol-1-yl]-1-piperazin-1-ylethanone
CID 158987055
2-[4-[5-cyano-6-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]acetic acid
CID 155385397
tert-butyl (2S)-2-methyl-4-[2-[4-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]acetyl]piperazine-1-carboxylate
CID 155402559
2-(4-bromopyrazol-1-yl)-1-piperazin-1-ylethanone;dihydrochloride
CID 121226431
2-[4-[7,7-difluoro-2-[(2S)-2-methylazetidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]phenoxy]-1-piperazin-1-ylethanone
CID 168954060
1-piperazin-1-yl-2-pyrazol-1-ylethanone
CID 23070038
2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone
CID 71808815
tert-butyl 3-[1-[5-methyl-8-[(2S)-2-methylazetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]imidazol-4-yl]azetidine-1-carboxylate
CID 172621721

Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-[(2S)-2-methylazetidin-1-yl]-5-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone?
The IUPAC name of 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) is 2-[4-[8-[(2S)-2-methylazetidin-1-yl]-5-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[4-[8-[(2S)-2-methylazetidin-1-yl]-5-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[4-[8-[(2S)-2-methylazetidin-1-yl]-5-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone is C[C@H]1CCN1c1nc(-c2cnn(CC(=O)N3CCNCC3)c2)c(C(F)(F)F)n2ccnc12.
What is the InChIKey of 2-[4-[8-[(2S)-2-methylazetidin-1-yl]-5-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone?
The InChIKey is QULKLUPEDFLXFF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23F3N8O/c1-13-2-6-30(13)19-18-25-5-9-31(18)17(20(21,22)23)16(27-19)14-10-26-29(11-14)12-15(32)28-7-3-24-4-8-28/h5,9-11,13,24H,2-4,6-8,12H2,1H3/t13-/m0/s1.
What are the key properties of 2-[4-[8-[(2S)-2-methylazetidin-1-yl]-5-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone?
2-[4-[8-[(2S)-2-methylazetidin-1-yl]-5-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone has a molecular weight of 448.45 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-[(2S)-2-methylazetidin-1-yl]-5-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone is sourced from PubChem (CID 172621636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).