2-chloro-N-[(2R)-1-oxo-1-piperazin-1-ylpropan-2-yl]-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide

C24H23ClF3N9O2 — CID 168822561

IUPAC2-chloro-N-[(2R)-1-oxo-1-piperazin-1-ylpropan-2-yl]-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Nc2nccn3c(-c4cn[nH]c4C(F)(F)F)cnc23)cc1Cl)C(=O)N1CCNCC1
InChIInChI=1S/C24H23ClF3N9O2/c1-13(23(39)36-7-4-29-5-8-36)33-22(38)15-3-2-14(10-17(15)25)34-20-21-31-12-18(37(21)9-6-30-20)16-11-32-35-19(16)24(26,27)28/h2-3,6,9-13,29H,4-5,7-8H2,1H3,(H,30,34)(H,32,35)(H,33,38)/t13-/m1/s1
InChIKeyCHOVNQMCOGMULL-CYBMUJFWSA-N
MW561.96 g/mol
LogP3.09
Rot. Bonds6

About 2-chloro-N-[(2R)-1-oxo-1-piperazin-1-ylpropan-2-yl]-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide

2-chloro-N-[(2R)-1-oxo-1-piperazin-1-ylpropan-2-yl]-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide (PubChem CID 168822561) has the molecular formula C24H23ClF3N9O2 and a molecular weight of 561.96 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-1-oxo-1-piperazin-1-ylpropan-2-yl]-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-1-oxo-1-piperazin-1-ylpropan-2-yl]-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
PubChem CID168822561
Molecular FormulaC24H23ClF3N9O2
Molecular Weight561.96 g/mol
Exact Mass561.16
IUPAC Name2-chloro-N-[(2R)-1-oxo-1-piperazin-1-ylpropan-2-yl]-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Nc2nccn3c(-c4cn[nH]c4C(F)(F)F)cnc23)cc1Cl)C(=O)N1CCNCC1
InChIInChI=1S/C24H23ClF3N9O2/c1-13(23(39)36-7-4-29-5-8-36)33-22(38)15-3-2-14(10-17(15)25)34-20-21-31-12-18(37(21)9-6-30-20)16-11-32-35-19(16)24(26,27)28/h2-3,6,9-13,29H,4-5,7-8H2,1H3,(H,30,34)(H,32,35)(H,33,38)/t13-/m1/s1
InChIKeyCHOVNQMCOGMULL-CYBMUJFWSA-N
XLogP3.09
TPSA132.34 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.96
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-chloro-N-[(2R)-1-oxo-1-piperazin-1-ylpropan-2-yl]-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide with MolForge

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Related Compounds

2-chloro-N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
CID 168822453
[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 162384603
2-[[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]amino]acetic acid
CID 157024634
[4-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-1-yl]-piperidin-4-ylmethanone;formic acid
CID 175356541
N-[2-(3-aminoazetidin-1-yl)-2-oxoethyl]-2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
CID 157025351
2-amino-1-[4-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-1-yl]ethanone
CID 157024866
[4-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-1-yl]-[(3S,4S)-3-hydroxypiperidin-4-yl]methanone
CID 157024685
tert-butyl N-[1-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperidin-4-yl]carbamate
CID 157024552
tert-butyl N-[2-[4-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 157024856
[3-[[(2R)-1-(4-aminopiperidin-1-yl)-1-oxopropan-2-yl]carbamoyl]-2-chloro-6-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl] formate
CID 157025706
[4-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-1-yl]-(5-hydroxypiperidin-3-yl)methanone
CID 157025637
[4-[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-1-yl]-[(3S,4R)-3-hydroxypiperidin-4-yl]methanone;formic acid
CID 175919876

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-1-oxo-1-piperazin-1-ylpropan-2-yl]-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide?
The IUPAC name of 2-chloro-N-[(2R)-1-oxo-1-piperazin-1-ylpropan-2-yl]-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide (CID 168822561) is 2-chloro-N-[(2R)-1-oxo-1-piperazin-1-ylpropan-2-yl]-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-[(2R)-1-oxo-1-piperazin-1-ylpropan-2-yl]-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide?
The canonical SMILES for 2-chloro-N-[(2R)-1-oxo-1-piperazin-1-ylpropan-2-yl]-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide is C[C@@H](NC(=O)c1ccc(Nc2nccn3c(-c4cn[nH]c4C(F)(F)F)cnc23)cc1Cl)C(=O)N1CCNCC1.
What is the InChIKey of 2-chloro-N-[(2R)-1-oxo-1-piperazin-1-ylpropan-2-yl]-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide?
The InChIKey is CHOVNQMCOGMULL-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H23ClF3N9O2/c1-13(23(39)36-7-4-29-5-8-36)33-22(38)15-3-2-14(10-17(15)25)34-20-21-31-12-18(37(21)9-6-30-20)16-11-32-35-19(16)24(26,27)28/h2-3,6,9-13,29H,4-5,7-8H2,1H3,(H,30,34)(H,32,35)(H,33,38)/t13-/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-1-oxo-1-piperazin-1-ylpropan-2-yl]-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide?
2-chloro-N-[(2R)-1-oxo-1-piperazin-1-ylpropan-2-yl]-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide has a molecular weight of 561.96 g/mol, XLogP of 3.09, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-1-oxo-1-piperazin-1-ylpropan-2-yl]-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide is sourced from PubChem (CID 168822561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).