4-chloro-2-fluoro-5-[4-[2-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-3-phenylquinoxalin-6-yl]pyrimidin-2-yl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide

C50H31ClF4N10O2 — CID 123459022

IUPAC4-chloro-2-fluoro-5-[4-[2-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-3-phenylquinoxalin-6-yl]pyrimidin-2-yl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3nc4ccc(-c5ccnc(-c6cc(C(=O)Nc7c(-c8ccccc8)nc8ccccn78)c(F)cc6Cl)n5)cc4nc3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C50H31ClF4N10O2/c1-64-23-20-39(63-64)32-24-31(15-17-35(32)50(53,54)55)48(66)61-46-43(28-10-4-2-5-11-28)57-41-25-30(16-18-40(41)59-46)38-19-21-56-45(58-38)33-26-34(37(52)27-36(33)51)49(67)62-47-44(29-12-6-3-7-13-29)60-42-14-8-9-22-65(42)47/h2-27H,1H3,(H,62,67)(H,59,61,66)
InChIKeyNHABPWCISJEKSY-UHFFFAOYSA-N
MW915.31 g/mol
LogP11.45
Rot. Bonds9

About 4-chloro-2-fluoro-5-[4-[2-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-3-phenylquinoxalin-6-yl]pyrimidin-2-yl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide

4-chloro-2-fluoro-5-[4-[2-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-3-phenylquinoxalin-6-yl]pyrimidin-2-yl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide (PubChem CID 123459022) has the molecular formula C50H31ClF4N10O2 and a molecular weight of 915.31 g/mol. Its IUPAC name is 4-chloro-2-fluoro-5-[4-[2-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-3-phenylquinoxalin-6-yl]pyrimidin-2-yl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-5-[4-[2-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-3-phenylquinoxalin-6-yl]pyrimidin-2-yl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
PubChem CID123459022
Molecular FormulaC50H31ClF4N10O2
Molecular Weight915.31 g/mol
Exact Mass914.23
IUPAC Name4-chloro-2-fluoro-5-[4-[2-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-3-phenylquinoxalin-6-yl]pyrimidin-2-yl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3nc4ccc(-c5ccnc(-c6cc(C(=O)Nc7c(-c8ccccc8)nc8ccccn78)c(F)cc6Cl)n5)cc4nc3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C50H31ClF4N10O2/c1-64-23-20-39(63-64)32-24-31(15-17-35(32)50(53,54)55)48(66)61-46-43(28-10-4-2-5-11-28)57-41-25-30(16-18-40(41)59-46)38-19-21-56-45(58-38)33-26-34(37(52)27-36(33)51)49(67)62-47-44(29-12-6-3-7-13-29)60-42-14-8-9-22-65(42)47/h2-27H,1H3,(H,62,67)(H,59,61,66)
InChIKeyNHABPWCISJEKSY-UHFFFAOYSA-N
XLogP11.45
TPSA144.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.31
LogP ≤ 511.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-chloro-2-fluoro-5-[4-[2-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-3-phenylquinoxalin-6-yl]pyrimidin-2-yl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide 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-(2,6-difluorophenyl)-3-[3-(2-{[3-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452676
US11746110, Example 5
CID 146312088
US11618753, Example 1809
CID 139348799
1-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]benzimidazole-5-carboxamide
CID 132057185
N-[9-(2-chloro-5-fluorophenyl)-5-(5-cyanoimidazo[1,2-a]pyridin-6-yl)-11-oxo-1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 171577853
N-[9-(2-chloro-5-fluorophenyl)-11-oxo-5-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 171577857
N-[9-(2-chloro-5-fluorophenyl)-11-oxo-5-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 171577903
N-[9-(2-chloro-5-fluorophenyl)-11-oxo-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 171578024
N-[9-(2-chloro-5-fluorophenyl)-5-(1H-imidazo[4,5-b]pyridin-6-yl)-11-oxo-1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 171578080
N-[9-(2-chloro-5-fluorophenyl)-5-(5-cyano-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-11-oxo-1,10-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 175679506
2-fluoro-N-(5-methyl-2-pyridinyl)-4-[6-(1-tritylpyrazol-4-yl)benzimidazol-1-yl]benzamide
CID 22031969
2-chloro-N-(2,4-difluorophenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 23537284

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-5-[4-[2-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-3-phenylquinoxalin-6-yl]pyrimidin-2-yl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide?
The IUPAC name of 4-chloro-2-fluoro-5-[4-[2-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-3-phenylquinoxalin-6-yl]pyrimidin-2-yl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide (CID 123459022) is 4-chloro-2-fluoro-5-[4-[2-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-3-phenylquinoxalin-6-yl]pyrimidin-2-yl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-5-[4-[2-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-3-phenylquinoxalin-6-yl]pyrimidin-2-yl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide?
The canonical SMILES for 4-chloro-2-fluoro-5-[4-[2-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-3-phenylquinoxalin-6-yl]pyrimidin-2-yl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3nc4ccc(-c5ccnc(-c6cc(C(=O)Nc7c(-c8ccccc8)nc8ccccn78)c(F)cc6Cl)n5)cc4nc3-c3ccccc3)ccc2C(F)(F)F)n1.
What is the InChIKey of 4-chloro-2-fluoro-5-[4-[2-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-3-phenylquinoxalin-6-yl]pyrimidin-2-yl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide?
The InChIKey is NHABPWCISJEKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31ClF4N10O2/c1-64-23-20-39(63-64)32-24-31(15-17-35(32)50(53,54)55)48(66)61-46-43(28-10-4-2-5-11-28)57-41-25-30(16-18-40(41)59-46)38-19-21-56-45(58-38)33-26-34(37(52)27-36(33)51)49(67)62-47-44(29-12-6-3-7-13-29)60-42-14-8-9-22-65(42)47/h2-27H,1H3,(H,62,67)(H,59,61,66).
What are the key properties of 4-chloro-2-fluoro-5-[4-[2-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-3-phenylquinoxalin-6-yl]pyrimidin-2-yl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide?
4-chloro-2-fluoro-5-[4-[2-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-3-phenylquinoxalin-6-yl]pyrimidin-2-yl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide has a molecular weight of 915.31 g/mol, XLogP of 11.45, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-5-[4-[2-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-3-phenylquinoxalin-6-yl]pyrimidin-2-yl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide is sourced from PubChem (CID 123459022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).