N-[[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine

C50H43F7N8O2 — CID 163202224

IUPACN-[[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
SMILESCc1ccn2c(C(=O)NCc3ccc(N4CCCN(c5ccc(C(F)(F)F)cc5)CC4)c(F)c3)c(C)nc2c1.FC(F)(F)c1ccc(Oc2ccc(Nc3ncnc4ccccc34)cc2)cc1
InChIInChI=1S/C29H29F4N5O.C21H14F3N3O/c1-19-10-13-38-26(16-19)35-20(2)27(38)28(39)34-18-21-4-9-25(24(30)17-21)37-12-3-11-36(14-15-37)23-7-5-22(6-8-23)29(31,32)33;22-21(23,24)14-5-9-16(10-6-14)28-17-11-7-15(8-12-17)27-20-18-3-1-2-4-19(18)25-13-26-20/h4-10,13,16-17H,3,11-12,14-15,18H2,1-2H3,(H,34,39);1-13H,(H,25,26,27)
InChIKeyLQKVDDUDHKHRDJ-UHFFFAOYSA-N
MW920.93 g/mol
LogP11.94
Rot. Bonds9

About N-[[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine

N-[[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine (PubChem CID 163202224) has the molecular formula C50H43F7N8O2 and a molecular weight of 920.93 g/mol. Its IUPAC name is N-[[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
PubChem CID163202224
Molecular FormulaC50H43F7N8O2
Molecular Weight920.93 g/mol
Exact Mass920.34
IUPAC NameN-[[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
SMILESCc1ccn2c(C(=O)NCc3ccc(N4CCCN(c5ccc(C(F)(F)F)cc5)CC4)c(F)c3)c(C)nc2c1.FC(F)(F)c1ccc(Oc2ccc(Nc3ncnc4ccccc34)cc2)cc1
InChIInChI=1S/C29H29F4N5O.C21H14F3N3O/c1-19-10-13-38-26(16-19)35-20(2)27(38)28(39)34-18-21-4-9-25(24(30)17-21)37-12-3-11-36(14-15-37)23-7-5-22(6-8-23)29(31,32)33;22-21(23,24)14-5-9-16(10-6-14)28-17-11-7-15(8-12-17)27-20-18-3-1-2-4-19(18)25-13-26-20/h4-10,13,16-17H,3,11-12,14-15,18H2,1-2H3,(H,34,39);1-13H,(H,25,26,27)
InChIKeyLQKVDDUDHKHRDJ-UHFFFAOYSA-N
XLogP11.94
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.93
LogP ≤ 511.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine with MolForge

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Related Compounds

7-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234668
9-(2,6-Dimethylphenyl)-4-[3-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]-1,3,5,9,11-pentazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,10,12,14,16-heptaen-8-one
CID 11376799
2,7-dimethyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71761816
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 71761821
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2,8-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 71762053
6-Fluoro-2-(2-fluorophenyl)-3-[2-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]phenoxy]ethyl]-1,2-dihydroquinazolin-4-one
CID 137640450
7-Fluoro-2-(2-fluorophenyl)-3-[2-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]phenoxy]ethyl]-1,2-dihydroquinazolin-4-one
CID 137642941
N-[(4-methoxyphenyl)methyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 164613436
N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 164624196
N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 164628072
N-[(4-phenoxyphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 70693464
N-[(4-propan-2-yloxyphenyl)methyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 164611004

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine?
The IUPAC name of N-[[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine (CID 163202224) is N-[[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine.
What is the SMILES notation for N-[[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine?
The canonical SMILES for N-[[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine is Cc1ccn2c(C(=O)NCc3ccc(N4CCCN(c5ccc(C(F)(F)F)cc5)CC4)c(F)c3)c(C)nc2c1.FC(F)(F)c1ccc(Oc2ccc(Nc3ncnc4ccccc34)cc2)cc1.
What is the InChIKey of N-[[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine?
The InChIKey is LQKVDDUDHKHRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F4N5O.C21H14F3N3O/c1-19-10-13-38-26(16-19)35-20(2)27(38)28(39)34-18-21-4-9-25(24(30)17-21)37-12-3-11-36(14-15-37)23-7-5-22(6-8-23)29(31,32)33;22-21(23,24)14-5-9-16(10-6-14)28-17-11-7-15(8-12-17)27-20-18-3-1-2-4-19(18)25-13-26-20/h4-10,13,16-17H,3,11-12,14-15,18H2,1-2H3,(H,34,39);1-13H,(H,25,26,27).
What are the key properties of N-[[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine?
N-[[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine has a molecular weight of 920.93 g/mol, XLogP of 11.94, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine is sourced from PubChem (CID 163202224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).