N-[[3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-phenylpyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide

C85H82F3N19O3 — CID 157280067

IUPACN-[[3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-phenylpyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide
SMILESCC(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(CNC(=O)c2ccccc2)CC3)n1.CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2ccc(-c4ccccc4)nn2)CC3)n1.O=C(NCC1CCc2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCC4)n3)n21)c1ccccc1
InChIInChI=1S/C29H26FN7O.C28H27FN6O.C28H29FN6O/c1-2-31-29-32-17-16-24(33-29)28-27(20-8-10-21(30)11-9-20)34-25-14-12-22(37(25)28)18-38-26-15-13-23(35-36-26)19-6-4-3-5-7-19;29-20-11-9-18(10-12-20)25-26(23-15-16-30-28(33-23)32-21-7-4-8-21)35-22(13-14-24(35)34-25)17-31-27(36)19-5-2-1-3-6-19;1-18(2)16-32-28-30-15-14-23(33-28)26-25(19-8-10-21(29)11-9-19)34-24-13-12-22(35(24)26)17-31-27(36)20-6-4-3-5-7-20/h3-11,13,15-17,22H,2,12,14,18H2,1H3,(H,31,32,33);1-3,5-6,9-12,15-16,21-22H,4,7-8,13-14,17H2,(H,31,36)(H,30,32,33);3-11,14-15,18,22H,12-13,16-17H2,1-2H3,(H,31,36)(H,30,32,33)
InChIKeyAZODWKAUNJVBBZ-UHFFFAOYSA-N
MW1474.71 g/mol
LogP15.76
Rot. Bonds23

About N-[[3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-phenylpyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide

N-[[3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-phenylpyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide (PubChem CID 157280067) has the molecular formula C85H82F3N19O3 and a molecular weight of 1474.71 g/mol. Its IUPAC name is N-[[3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-phenylpyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-phenylpyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide
PubChem CID157280067
Molecular FormulaC85H82F3N19O3
Molecular Weight1474.71 g/mol
Exact Mass1473.68
IUPAC NameN-[[3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-phenylpyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide
SMILESCC(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(CNC(=O)c2ccccc2)CC3)n1.CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2ccc(-c4ccccc4)nn2)CC3)n1.O=C(NCC1CCc2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCC4)n3)n21)c1ccccc1
InChIInChI=1S/C29H26FN7O.C28H27FN6O.C28H29FN6O/c1-2-31-29-32-17-16-24(33-29)28-27(20-8-10-21(30)11-9-20)34-25-14-12-22(37(25)28)18-38-26-15-13-23(35-36-26)19-6-4-3-5-7-19;29-20-11-9-18(10-12-20)25-26(23-15-16-30-28(33-23)32-21-7-4-8-21)35-22(13-14-24(35)34-25)17-31-27(36)19-5-2-1-3-6-19;1-18(2)16-32-28-30-15-14-23(33-28)26-25(19-8-10-21(29)11-9-19)34-24-13-12-22(35(24)26)17-31-27(36)20-6-4-3-5-7-20/h3-11,13,15-17,22H,2,12,14,18H2,1H3,(H,31,32,33);1-3,5-6,9-12,15-16,21-22H,4,7-8,13-14,17H2,(H,31,36)(H,30,32,33);3-11,14-15,18,22H,12-13,16-17H2,1-2H3,(H,31,36)(H,30,32,33)
InChIKeyAZODWKAUNJVBBZ-UHFFFAOYSA-N
XLogP15.76
TPSA260.10 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001474.71
LogP ≤ 515.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze N-[[3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-phenylpyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]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 N-[[3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-phenylpyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide?
The IUPAC name of N-[[3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-phenylpyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide (CID 157280067) is N-[[3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-phenylpyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide.
What is the SMILES notation for N-[[3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-phenylpyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide?
The canonical SMILES for N-[[3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-phenylpyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide is CC(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(CNC(=O)c2ccccc2)CC3)n1.CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2ccc(-c4ccccc4)nn2)CC3)n1.O=C(NCC1CCc2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCC4)n3)n21)c1ccccc1.
What is the InChIKey of N-[[3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-phenylpyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide?
The InChIKey is AZODWKAUNJVBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN7O.C28H27FN6O.C28H29FN6O/c1-2-31-29-32-17-16-24(33-29)28-27(20-8-10-21(30)11-9-20)34-25-14-12-22(37(25)28)18-38-26-15-13-23(35-36-26)19-6-4-3-5-7-19;29-20-11-9-18(10-12-20)25-26(23-15-16-30-28(33-23)32-21-7-4-8-21)35-22(13-14-24(35)34-25)17-31-27(36)19-5-2-1-3-6-19;1-18(2)16-32-28-30-15-14-23(33-28)26-25(19-8-10-21(29)11-9-19)34-24-13-12-22(35(24)26)17-31-27(36)20-6-4-3-5-7-20/h3-11,13,15-17,22H,2,12,14,18H2,1H3,(H,31,32,33);1-3,5-6,9-12,15-16,21-22H,4,7-8,13-14,17H2,(H,31,36)(H,30,32,33);3-11,14-15,18,22H,12-13,16-17H2,1-2H3,(H,31,36)(H,30,32,33).
What are the key properties of N-[[3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-phenylpyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide?
N-[[3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-phenylpyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide has a molecular weight of 1474.71 g/mol, XLogP of 15.76, 23 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-phenylpyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide is sourced from PubChem (CID 157280067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).