6-[[2-[3,5-difluoro-4-[4-[3-(3-fluoro-4-propan-2-ylphenyl)pyrazol-1-yl]butan-2-yl]phenyl]-4,5-dimethylimidazol-1-yl]methyl]-2-(2-fluoro-3-propan-2-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C43H46F4N6 — CID 146634253

IUPAC6-[[2-[3,5-difluoro-4-[4-[3-(3-fluoro-4-propan-2-ylphenyl)pyrazol-1-yl]butan-2-yl]phenyl]-4,5-dimethylimidazol-1-yl]methyl]-2-(2-fluoro-3-propan-2-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCc1nc(-c2cc(F)c(C(C)CCn3ccc(-c4ccc(C(C)C)c(F)c4)n3)c(F)c2)n(CC2Cc3nc(-c4cccc(C(C)C)c4F)cn3C2)c1C
InChIInChI=1S/C43H46F4N6/c1-24(2)32-12-11-30(18-35(32)44)38-14-16-52(50-38)15-13-26(5)41-36(45)19-31(20-37(41)46)43-48-27(6)28(7)53(43)22-29-17-40-49-39(23-51(40)21-29)34-10-8-9-33(25(3)4)42(34)47/h8-12,14,16,18-20,23-26,29H,13,15,17,21-22H2,1-7H3
InChIKeyHAPAHWOUZMNBDM-UHFFFAOYSA-N
MW722.88 g/mol
LogP10.76
Rot. Bonds11

About 6-[[2-[3,5-difluoro-4-[4-[3-(3-fluoro-4-propan-2-ylphenyl)pyrazol-1-yl]butan-2-yl]phenyl]-4,5-dimethylimidazol-1-yl]methyl]-2-(2-fluoro-3-propan-2-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

6-[[2-[3,5-difluoro-4-[4-[3-(3-fluoro-4-propan-2-ylphenyl)pyrazol-1-yl]butan-2-yl]phenyl]-4,5-dimethylimidazol-1-yl]methyl]-2-(2-fluoro-3-propan-2-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 146634253) has the molecular formula C43H46F4N6 and a molecular weight of 722.88 g/mol. Its IUPAC name is 6-[[2-[3,5-difluoro-4-[4-[3-(3-fluoro-4-propan-2-ylphenyl)pyrazol-1-yl]butan-2-yl]phenyl]-4,5-dimethylimidazol-1-yl]methyl]-2-(2-fluoro-3-propan-2-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name6-[[2-[3,5-difluoro-4-[4-[3-(3-fluoro-4-propan-2-ylphenyl)pyrazol-1-yl]butan-2-yl]phenyl]-4,5-dimethylimidazol-1-yl]methyl]-2-(2-fluoro-3-propan-2-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID146634253
Molecular FormulaC43H46F4N6
Molecular Weight722.88 g/mol
Exact Mass722.37
IUPAC Name6-[[2-[3,5-difluoro-4-[4-[3-(3-fluoro-4-propan-2-ylphenyl)pyrazol-1-yl]butan-2-yl]phenyl]-4,5-dimethylimidazol-1-yl]methyl]-2-(2-fluoro-3-propan-2-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCc1nc(-c2cc(F)c(C(C)CCn3ccc(-c4ccc(C(C)C)c(F)c4)n3)c(F)c2)n(CC2Cc3nc(-c4cccc(C(C)C)c4F)cn3C2)c1C
InChIInChI=1S/C43H46F4N6/c1-24(2)32-12-11-30(18-35(32)44)38-14-16-52(50-38)15-13-26(5)41-36(45)19-31(20-37(41)46)43-48-27(6)28(7)53(43)22-29-17-40-49-39(23-51(40)21-29)34-10-8-9-33(25(3)4)42(34)47/h8-12,14,16,18-20,23-26,29H,13,15,17,21-22H2,1-7H3
InChIKeyHAPAHWOUZMNBDM-UHFFFAOYSA-N
XLogP10.76
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.88
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[[2-[3,5-difluoro-4-[4-[3-(3-fluoro-4-propan-2-ylphenyl)pyrazol-1-yl]butan-2-yl]phenyl]-4,5-dimethylimidazol-1-yl]methyl]-2-(2-fluoro-3-propan-2-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-[3,5-difluoro-4-[4-[3-(3-fluoro-4-propan-2-ylphenyl)pyrazol-1-yl]butan-2-yl]phenyl]-4,5-dimethylimidazol-1-yl]methyl]-2-(2-fluoro-3-propan-2-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 6-[[2-[3,5-difluoro-4-[4-[3-(3-fluoro-4-propan-2-ylphenyl)pyrazol-1-yl]butan-2-yl]phenyl]-4,5-dimethylimidazol-1-yl]methyl]-2-(2-fluoro-3-propan-2-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 146634253) is 6-[[2-[3,5-difluoro-4-[4-[3-(3-fluoro-4-propan-2-ylphenyl)pyrazol-1-yl]butan-2-yl]phenyl]-4,5-dimethylimidazol-1-yl]methyl]-2-(2-fluoro-3-propan-2-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 6-[[2-[3,5-difluoro-4-[4-[3-(3-fluoro-4-propan-2-ylphenyl)pyrazol-1-yl]butan-2-yl]phenyl]-4,5-dimethylimidazol-1-yl]methyl]-2-(2-fluoro-3-propan-2-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 6-[[2-[3,5-difluoro-4-[4-[3-(3-fluoro-4-propan-2-ylphenyl)pyrazol-1-yl]butan-2-yl]phenyl]-4,5-dimethylimidazol-1-yl]methyl]-2-(2-fluoro-3-propan-2-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is Cc1nc(-c2cc(F)c(C(C)CCn3ccc(-c4ccc(C(C)C)c(F)c4)n3)c(F)c2)n(CC2Cc3nc(-c4cccc(C(C)C)c4F)cn3C2)c1C.
What is the InChIKey of 6-[[2-[3,5-difluoro-4-[4-[3-(3-fluoro-4-propan-2-ylphenyl)pyrazol-1-yl]butan-2-yl]phenyl]-4,5-dimethylimidazol-1-yl]methyl]-2-(2-fluoro-3-propan-2-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is HAPAHWOUZMNBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46F4N6/c1-24(2)32-12-11-30(18-35(32)44)38-14-16-52(50-38)15-13-26(5)41-36(45)19-31(20-37(41)46)43-48-27(6)28(7)53(43)22-29-17-40-49-39(23-51(40)21-29)34-10-8-9-33(25(3)4)42(34)47/h8-12,14,16,18-20,23-26,29H,13,15,17,21-22H2,1-7H3.
What are the key properties of 6-[[2-[3,5-difluoro-4-[4-[3-(3-fluoro-4-propan-2-ylphenyl)pyrazol-1-yl]butan-2-yl]phenyl]-4,5-dimethylimidazol-1-yl]methyl]-2-(2-fluoro-3-propan-2-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
6-[[2-[3,5-difluoro-4-[4-[3-(3-fluoro-4-propan-2-ylphenyl)pyrazol-1-yl]butan-2-yl]phenyl]-4,5-dimethylimidazol-1-yl]methyl]-2-(2-fluoro-3-propan-2-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 722.88 g/mol, XLogP of 10.76, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[3,5-difluoro-4-[4-[3-(3-fluoro-4-propan-2-ylphenyl)pyrazol-1-yl]butan-2-yl]phenyl]-4,5-dimethylimidazol-1-yl]methyl]-2-(2-fluoro-3-propan-2-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 146634253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).