2-[1-[8-[(2S)-2-methylazetidin-1-yl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-3-yl]-1-piperazin-1-ylethanone

C20H23F3N8O — CID 172621756

IUPAC2-[1-[8-[(2S)-2-methylazetidin-1-yl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-3-yl]-1-piperazin-1-ylethanone
SMILESC[C@H]1CCN1c1nc(-n2ccc(CC(=O)N3CCNCC3)n2)cn2c(C(F)(F)F)cnc12
InChIInChI=1S/C20H23F3N8O/c1-13-2-6-29(13)19-18-25-11-15(20(21,22)23)30(18)12-16(26-19)31-7-3-14(27-31)10-17(32)28-8-4-24-5-9-28/h3,7,11-13,24H,2,4-6,8-10H2,1H3/t13-/m0/s1
InChIKeyVTGPSHGMQIFTEO-ZDUSSCGKSA-N
MW448.45 g/mol
LogP1.51
Rot. Bonds4

About 2-[1-[8-[(2S)-2-methylazetidin-1-yl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-3-yl]-1-piperazin-1-ylethanone

2-[1-[8-[(2S)-2-methylazetidin-1-yl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-3-yl]-1-piperazin-1-ylethanone (PubChem CID 172621756) has the molecular formula C20H23F3N8O and a molecular weight of 448.45 g/mol. Its IUPAC name is 2-[1-[8-[(2S)-2-methylazetidin-1-yl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-3-yl]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[1-[8-[(2S)-2-methylazetidin-1-yl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-3-yl]-1-piperazin-1-ylethanone
PubChem CID172621756
Molecular FormulaC20H23F3N8O
Molecular Weight448.45 g/mol
Exact Mass448.19
IUPAC Name2-[1-[8-[(2S)-2-methylazetidin-1-yl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-3-yl]-1-piperazin-1-ylethanone
SMILESC[C@H]1CCN1c1nc(-n2ccc(CC(=O)N3CCNCC3)n2)cn2c(C(F)(F)F)cnc12
InChIInChI=1S/C20H23F3N8O/c1-13-2-6-29(13)19-18-25-11-15(20(21,22)23)30(18)12-16(26-19)31-7-3-14(27-31)10-17(32)28-8-4-24-5-9-28/h3,7,11-13,24H,2,4-6,8-10H2,1H3/t13-/m0/s1
InChIKeyVTGPSHGMQIFTEO-ZDUSSCGKSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[1-[8-[(2S)-2-methylazetidin-1-yl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-3-yl]-1-piperazin-1-ylethanone with MolForge

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Related Compounds

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-[3-[6-methyl-2-[(2S)-2-methylazetidin-1-yl]pyrimidin-4-yl]pyrrol-1-yl]-1-piperazin-1-ylethanone
CID 158987055
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-(4-fluorophenyl)pyrazol-3-yl]-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 146088301
4-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one
CID 114217405
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 39305192
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
2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone
CID 82283489
2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone
CID 107147060
2-(1-phenylpyrazol-4-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 166203581
[2-[4-[4-[5-cyano-6-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-2-oxoethyl]carbamic acid
CID 155385452
2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 86783988

Frequently Asked Questions

What is the IUPAC name of 2-[1-[8-[(2S)-2-methylazetidin-1-yl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-3-yl]-1-piperazin-1-ylethanone?
The IUPAC name of 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) is 2-[1-[8-[(2S)-2-methylazetidin-1-yl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-3-yl]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[1-[8-[(2S)-2-methylazetidin-1-yl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-3-yl]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[1-[8-[(2S)-2-methylazetidin-1-yl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-3-yl]-1-piperazin-1-ylethanone is C[C@H]1CCN1c1nc(-n2ccc(CC(=O)N3CCNCC3)n2)cn2c(C(F)(F)F)cnc12.
What is the InChIKey of 2-[1-[8-[(2S)-2-methylazetidin-1-yl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-3-yl]-1-piperazin-1-ylethanone?
The InChIKey is VTGPSHGMQIFTEO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23F3N8O/c1-13-2-6-29(13)19-18-25-11-15(20(21,22)23)30(18)12-16(26-19)31-7-3-14(27-31)10-17(32)28-8-4-24-5-9-28/h3,7,11-13,24H,2,4-6,8-10H2,1H3/t13-/m0/s1.
What are the key properties of 2-[1-[8-[(2S)-2-methylazetidin-1-yl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-3-yl]-1-piperazin-1-ylethanone?
2-[1-[8-[(2S)-2-methylazetidin-1-yl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-3-yl]-1-piperazin-1-ylethanone has a molecular weight of 448.45 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[8-[(2S)-2-methylazetidin-1-yl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-3-yl]-1-piperazin-1-ylethanone is sourced from PubChem (CID 172621756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).