1-[3-[7-[3-(1-acetylpiperidin-4-yl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

C56H54F6N10O5 — CID 158323766

IUPAC1-[3-[7-[3-(1-acetylpiperidin-4-yl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCC(=O)N1CCC(Oc2cccc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)c2)CC1.O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cccc(OC5CCNCC5)c4)ccn23)c1
InChIInChI=1S/C29H28F3N5O3.C27H26F3N5O2/c1-19(38)36-11-9-24(10-12-36)40-25-7-3-4-20(15-25)21-8-13-37-26(17-33-27(37)16-21)22-5-2-6-23(14-22)35-28(39)34-18-29(30,31)32;28-27(29,30)17-33-26(36)34-21-5-1-4-20(13-21)24-16-32-25-15-19(9-12-35(24)25)18-3-2-6-23(14-18)37-22-7-10-31-11-8-22/h2-8,13-17,24H,9-12,18H2,1H3,(H2,34,35,39);1-6,9,12-16,22,31H,7-8,10-11,17H2,(H2,33,34,36)
InChIKeyGPDTWQFFMZKMQR-UHFFFAOYSA-N
MW1061.10 g/mol
LogP11.22
Rot. Bonds12

About 1-[3-[7-[3-(1-acetylpiperidin-4-yl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

1-[3-[7-[3-(1-acetylpiperidin-4-yl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 158323766) has the molecular formula C56H54F6N10O5 and a molecular weight of 1061.10 g/mol. Its IUPAC name is 1-[3-[7-[3-(1-acetylpiperidin-4-yl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-[7-[3-(1-acetylpiperidin-4-yl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID158323766
Molecular FormulaC56H54F6N10O5
Molecular Weight1061.10 g/mol
Exact Mass1060.42
IUPAC Name1-[3-[7-[3-(1-acetylpiperidin-4-yl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCC(=O)N1CCC(Oc2cccc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)c2)CC1.O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cccc(OC5CCNCC5)c4)ccn23)c1
InChIInChI=1S/C29H28F3N5O3.C27H26F3N5O2/c1-19(38)36-11-9-24(10-12-36)40-25-7-3-4-20(15-25)21-8-13-37-26(17-33-27(37)16-21)22-5-2-6-23(14-22)35-28(39)34-18-29(30,31)32;28-27(29,30)17-33-26(36)34-21-5-1-4-20(13-21)24-16-32-25-15-19(9-12-35(24)25)18-3-2-6-23(14-18)37-22-7-10-31-11-8-22/h2-8,13-17,24H,9-12,18H2,1H3,(H2,34,35,39);1-6,9,12-16,22,31H,7-8,10-11,17H2,(H2,33,34,36)
InChIKeyGPDTWQFFMZKMQR-UHFFFAOYSA-N
XLogP11.22
TPSA167.66 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.10
LogP ≤ 511.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 1-[3-[7-[3-(1-acetylpiperidin-4-yl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea with MolForge

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Related Compounds

N-[4-fluoro-3-[6-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 76310659
N-[3-[3-[3-[3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoylamino]propoxy]phenyl]phenyl]-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 169277915
1-[3-[7-(5-Methoxypyridin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68170095
1-[3-[4-[3-(Cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenoxy]propyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 60165328
1-[3-[5-[3-(Cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenoxy]propyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 71575459
1-[3-[4-[3-(Cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]propyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71575461
1-[3-[7-(6-Piperidin-4-yloxypyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 44547745
1-[3-[7-[6-[3-(Dimethylamino)propoxy]pyridin-3-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 44547901
1-[3-[7-(6-Piperidin-3-yloxypyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 44548216
1-[3-[7-(6-Ethoxypyridin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68161668
1-[3-[7-(6-Methoxypyridin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68162017
1-[3-Cyclopentyloxy-5-(7-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68168855

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-[3-(1-acetylpiperidin-4-yl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-[7-[3-(1-acetylpiperidin-4-yl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 158323766) is 1-[3-[7-[3-(1-acetylpiperidin-4-yl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-[7-[3-(1-acetylpiperidin-4-yl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-[7-[3-(1-acetylpiperidin-4-yl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is CC(=O)N1CCC(Oc2cccc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)c2)CC1.O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cccc(OC5CCNCC5)c4)ccn23)c1.
What is the InChIKey of 1-[3-[7-[3-(1-acetylpiperidin-4-yl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is GPDTWQFFMZKMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F3N5O3.C27H26F3N5O2/c1-19(38)36-11-9-24(10-12-36)40-25-7-3-4-20(15-25)21-8-13-37-26(17-33-27(37)16-21)22-5-2-6-23(14-22)35-28(39)34-18-29(30,31)32;28-27(29,30)17-33-26(36)34-21-5-1-4-20(13-21)24-16-32-25-15-19(9-12-35(24)25)18-3-2-6-23(14-18)37-22-7-10-31-11-8-22/h2-8,13-17,24H,9-12,18H2,1H3,(H2,34,35,39);1-6,9,12-16,22,31H,7-8,10-11,17H2,(H2,33,34,36).
What are the key properties of 1-[3-[7-[3-(1-acetylpiperidin-4-yl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-[7-[3-(1-acetylpiperidin-4-yl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 1061.10 g/mol, XLogP of 11.22, 12 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-[3-(1-acetylpiperidin-4-yl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(3-piperidin-4-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 158323766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).