2-fluoro-4-methyl-N-[3-(4-methyl-3-oxopiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-[2-[8-(1H-pyrazol-4-ylamino)imidazo[1,2-a]pyridin-3-yl]ethyl]benzamide

C32H30F4N8O2 — CID 166067311

IUPAC2-fluoro-4-methyl-N-[3-(4-methyl-3-oxopiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-[2-[8-(1H-pyrazol-4-ylamino)imidazo[1,2-a]pyridin-3-yl]ethyl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cc(N3CCN(C)C(=O)C3)cc(C(F)(F)F)c2)cc1CCc1cnc2c(Nc3cn[nH]c3)cccn12
InChIInChI=1S/C32H30F4N8O2/c1-19-10-27(33)26(11-20(19)5-6-24-17-37-30-28(4-3-7-44(24)30)40-23-15-38-39-16-23)31(46)41-22-12-21(32(34,35)36)13-25(14-22)43-9-8-42(2)29(45)18-43/h3-4,7,10-17,40H,5-6,8-9,18H2,1-2H3,(H,38,39)(H,41,46)
InChIKeyCVSSSKXKIZTRNM-UHFFFAOYSA-N
MW634.64 g/mol
LogP5.58
Rot. Bonds8

About 2-fluoro-4-methyl-N-[3-(4-methyl-3-oxopiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-[2-[8-(1H-pyrazol-4-ylamino)imidazo[1,2-a]pyridin-3-yl]ethyl]benzamide

2-fluoro-4-methyl-N-[3-(4-methyl-3-oxopiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-[2-[8-(1H-pyrazol-4-ylamino)imidazo[1,2-a]pyridin-3-yl]ethyl]benzamide (PubChem CID 166067311) has the molecular formula C32H30F4N8O2 and a molecular weight of 634.64 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-[3-(4-methyl-3-oxopiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-[2-[8-(1H-pyrazol-4-ylamino)imidazo[1,2-a]pyridin-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-[3-(4-methyl-3-oxopiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-[2-[8-(1H-pyrazol-4-ylamino)imidazo[1,2-a]pyridin-3-yl]ethyl]benzamide
PubChem CID166067311
Molecular FormulaC32H30F4N8O2
Molecular Weight634.64 g/mol
Exact Mass634.24
IUPAC Name2-fluoro-4-methyl-N-[3-(4-methyl-3-oxopiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-[2-[8-(1H-pyrazol-4-ylamino)imidazo[1,2-a]pyridin-3-yl]ethyl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cc(N3CCN(C)C(=O)C3)cc(C(F)(F)F)c2)cc1CCc1cnc2c(Nc3cn[nH]c3)cccn12
InChIInChI=1S/C32H30F4N8O2/c1-19-10-27(33)26(11-20(19)5-6-24-17-37-30-28(4-3-7-44(24)30)40-23-15-38-39-16-23)31(46)41-22-12-21(32(34,35)36)13-25(14-22)43-9-8-42(2)29(45)18-43/h3-4,7,10-17,40H,5-6,8-9,18H2,1-2H3,(H,38,39)(H,41,46)
InChIKeyCVSSSKXKIZTRNM-UHFFFAOYSA-N
XLogP5.58
TPSA110.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.64
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-fluoro-4-methyl-N-[3-(4-methyl-3-oxopiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-[2-[8-(1H-pyrazol-4-ylamino)imidazo[1,2-a]pyridin-3-yl]ethyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-[3-(4-methyl-3-oxopiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-[2-[8-(1H-pyrazol-4-ylamino)imidazo[1,2-a]pyridin-3-yl]ethyl]benzamide?
The IUPAC name of 2-fluoro-4-methyl-N-[3-(4-methyl-3-oxopiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-[2-[8-(1H-pyrazol-4-ylamino)imidazo[1,2-a]pyridin-3-yl]ethyl]benzamide (CID 166067311) is 2-fluoro-4-methyl-N-[3-(4-methyl-3-oxopiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-[2-[8-(1H-pyrazol-4-ylamino)imidazo[1,2-a]pyridin-3-yl]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-4-methyl-N-[3-(4-methyl-3-oxopiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-[2-[8-(1H-pyrazol-4-ylamino)imidazo[1,2-a]pyridin-3-yl]ethyl]benzamide?
The canonical SMILES for 2-fluoro-4-methyl-N-[3-(4-methyl-3-oxopiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-[2-[8-(1H-pyrazol-4-ylamino)imidazo[1,2-a]pyridin-3-yl]ethyl]benzamide is Cc1cc(F)c(C(=O)Nc2cc(N3CCN(C)C(=O)C3)cc(C(F)(F)F)c2)cc1CCc1cnc2c(Nc3cn[nH]c3)cccn12.
What is the InChIKey of 2-fluoro-4-methyl-N-[3-(4-methyl-3-oxopiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-[2-[8-(1H-pyrazol-4-ylamino)imidazo[1,2-a]pyridin-3-yl]ethyl]benzamide?
The InChIKey is CVSSSKXKIZTRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F4N8O2/c1-19-10-27(33)26(11-20(19)5-6-24-17-37-30-28(4-3-7-44(24)30)40-23-15-38-39-16-23)31(46)41-22-12-21(32(34,35)36)13-25(14-22)43-9-8-42(2)29(45)18-43/h3-4,7,10-17,40H,5-6,8-9,18H2,1-2H3,(H,38,39)(H,41,46).
What are the key properties of 2-fluoro-4-methyl-N-[3-(4-methyl-3-oxopiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-[2-[8-(1H-pyrazol-4-ylamino)imidazo[1,2-a]pyridin-3-yl]ethyl]benzamide?
2-fluoro-4-methyl-N-[3-(4-methyl-3-oxopiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-[2-[8-(1H-pyrazol-4-ylamino)imidazo[1,2-a]pyridin-3-yl]ethyl]benzamide has a molecular weight of 634.64 g/mol, XLogP of 5.58, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-[3-(4-methyl-3-oxopiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-[2-[8-(1H-pyrazol-4-ylamino)imidazo[1,2-a]pyridin-3-yl]ethyl]benzamide is sourced from PubChem (CID 166067311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).