2-[[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]amino]acetic acid

C19H13ClF3N7O3 — CID 157024634

IUPAC2-[[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(Nc2nccn3c(-c4cn[nH]c4C(F)(F)F)cnc23)cc1Cl
InChIInChI=1S/C19H13ClF3N7O3/c20-12-5-9(1-2-10(12)18(33)26-8-14(31)32)28-16-17-25-7-13(30(17)4-3-24-16)11-6-27-29-15(11)19(21,22)23/h1-7H,8H2,(H,24,28)(H,26,33)(H,27,29)(H,31,32)
InChIKeyDTZUXOMBPDNNKZ-UHFFFAOYSA-N
MW479.81 g/mol
LogP3.35
Rot. Bonds6

About 2-[[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]amino]acetic acid

2-[[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]amino]acetic acid (PubChem CID 157024634) has the molecular formula C19H13ClF3N7O3 and a molecular weight of 479.81 g/mol. Its IUPAC name is 2-[[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]amino]acetic acid
PubChem CID157024634
Molecular FormulaC19H13ClF3N7O3
Molecular Weight479.81 g/mol
Exact Mass479.07
IUPAC Name2-[[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(Nc2nccn3c(-c4cn[nH]c4C(F)(F)F)cnc23)cc1Cl
InChIInChI=1S/C19H13ClF3N7O3/c20-12-5-9(1-2-10(12)18(33)26-8-14(31)32)28-16-17-25-7-13(30(17)4-3-24-16)11-6-27-29-15(11)19(21,22)23/h1-7H,8H2,(H,24,28)(H,26,33)(H,27,29)(H,31,32)
InChIKeyDTZUXOMBPDNNKZ-UHFFFAOYSA-N
XLogP3.35
TPSA137.30 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.81
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-[2-[[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]amino]ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 168822634
N-[2-[[(2S)-2-amino-3-(diaminomethylideneamino)propanoyl]amino]ethyl]-2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
CID 157024783
[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
(2S,4R)-N-[3-[[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]amino]propyl]-4-hydroxypyrrolidine-2-carboxamide
CID 157024827
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
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
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
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
N-(2-aminoethyl)-2-ethyl-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide;formic acid
CID 175356411
[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
N-(3-ethoxypropyl)-2-ethyl-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
CID 157025552

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]amino]acetic acid?
The IUPAC name of 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) is 2-[[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(Nc2nccn3c(-c4cn[nH]c4C(F)(F)F)cnc23)cc1Cl.
What is the InChIKey of 2-[[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]amino]acetic acid?
The InChIKey is DTZUXOMBPDNNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N7O3/c20-12-5-9(1-2-10(12)18(33)26-8-14(31)32)28-16-17-25-7-13(30(17)4-3-24-16)11-6-27-29-15(11)19(21,22)23/h1-7H,8H2,(H,24,28)(H,26,33)(H,27,29)(H,31,32).
What are the key properties of 2-[[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]amino]acetic acid?
2-[[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]amino]acetic acid has a molecular weight of 479.81 g/mol, XLogP of 3.35, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 157024634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).