3-fluoro-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol

C71H67F2N13O7 — CID 160867687

IUPAC3-fluoro-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol
SMILESCOc1cc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)ccc1O.NC(=O)c1cc(F)cc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)c1.Oc1ccc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc1F
InChIInChI=1S/C24H22FN5O2.C24H24N4O3.C23H21FN4O2/c25-18-14-16(13-17(15-18)23(26)31)22-6-5-21(24-27-7-8-30(22)24)28-19-1-3-20(4-2-19)29-9-11-32-12-10-29;1-30-23-16-17(2-9-22(23)29)21-8-7-20(24-25-10-11-28(21)24)26-18-3-5-19(6-4-18)27-12-14-31-15-13-27;24-19-15-16(1-8-22(19)29)21-7-6-20(23-25-9-10-28(21)23)26-17-2-4-18(5-3-17)27-11-13-30-14-12-27/h1-8,13-15,28H,9-12H2,(H2,26,31);2-11,16,26,29H,12-15H2,1H3;1-10,15,26,29H,11-14H2
InChIKeySLINOXHQUANART-UHFFFAOYSA-N
MW1252.40 g/mol
LogP12.54
Rot. Bonds14

About 3-fluoro-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol

3-fluoro-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol (PubChem CID 160867687) has the molecular formula C71H67F2N13O7 and a molecular weight of 1252.40 g/mol. Its IUPAC name is 3-fluoro-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol
PubChem CID160867687
Molecular FormulaC71H67F2N13O7
Molecular Weight1252.40 g/mol
Exact Mass1251.53
IUPAC Name3-fluoro-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol
SMILESCOc1cc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)ccc1O.NC(=O)c1cc(F)cc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)c1.Oc1ccc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc1F
InChIInChI=1S/C24H22FN5O2.C24H24N4O3.C23H21FN4O2/c25-18-14-16(13-17(15-18)23(26)31)22-6-5-21(24-27-7-8-30(22)24)28-19-1-3-20(4-2-19)29-9-11-32-12-10-29;1-30-23-16-17(2-9-22(23)29)21-8-7-20(24-25-10-11-28(21)24)26-18-3-5-19(6-4-18)27-12-14-31-15-13-27;24-19-15-16(1-8-22(19)29)21-7-6-20(23-25-9-10-28(21)23)26-17-2-4-18(5-3-17)27-11-13-30-14-12-27/h1-8,13-15,28H,9-12H2,(H2,26,31);2-11,16,26,29H,12-15H2,1H3;1-10,15,26,29H,11-14H2
InChIKeySLINOXHQUANART-UHFFFAOYSA-N
XLogP12.54
TPSA218.18 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001252.40
LogP ≤ 512.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-fluoro-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol with MolForge

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Related Compounds

n-(2,6-Difluorophenyl)-3-[3-(2-{[4-{4-[(1s,4s)-5-(2-fluoroethyl)-2,5-diazabicyclo-[2.2.1]hept-2-yl]-1-piperidinyl}-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide
CID 87090176
N-(2-hydroxyethyl)-3-[3-(4-hydroxy-3-methoxy-phenyl)imidazo [1,2-a]pyrazin-6-yl]benzamide
CID 137120121
N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide
CID 57732940
N-(2,6-difluorophenyl)-3-[3-[2-[4-[4-[(1R,4R)-5-(2-fluoroethyl)-1-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452876
N-(2,6-difluorophenyl)-3-[3-[2-[4-[4-[(1R,4R)-5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59860254
3-fluoro-N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-(trifluoromethyl)benzamide
CID 70864373
N-(2,6-difluorophenyl)-3-[3-[2-[4-[4-[5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 72580460
N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide
CID 88910025
ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide
CID 143288225
4-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)-N-(2-hydroxyethyl)benzamide;N-phenyl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;N-phenyl-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 158119016
3-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-phenyl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;N-phenyl-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]propanoic acid
CID 158220230
bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxylic acid);5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline
CID 158947957

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol?
The IUPAC name of 3-fluoro-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol (CID 160867687) is 3-fluoro-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol.
What is the SMILES notation for 3-fluoro-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol?
The canonical SMILES for 3-fluoro-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol is COc1cc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)ccc1O.NC(=O)c1cc(F)cc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)c1.Oc1ccc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc1F.
What is the InChIKey of 3-fluoro-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol?
The InChIKey is SLINOXHQUANART-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2.C24H24N4O3.C23H21FN4O2/c25-18-14-16(13-17(15-18)23(26)31)22-6-5-21(24-27-7-8-30(22)24)28-19-1-3-20(4-2-19)29-9-11-32-12-10-29;1-30-23-16-17(2-9-22(23)29)21-8-7-20(24-25-10-11-28(21)24)26-18-3-5-19(6-4-18)27-12-14-31-15-13-27;24-19-15-16(1-8-22(19)29)21-7-6-20(23-25-9-10-28(21)23)26-17-2-4-18(5-3-17)27-11-13-30-14-12-27/h1-8,13-15,28H,9-12H2,(H2,26,31);2-11,16,26,29H,12-15H2,1H3;1-10,15,26,29H,11-14H2.
What are the key properties of 3-fluoro-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol?
3-fluoro-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol has a molecular weight of 1252.40 g/mol, XLogP of 12.54, 14 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol is sourced from PubChem (CID 160867687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).