5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[2-[1-[2-[1-[4-fluoro-2-methyl-5-[[6-(3-propan-2-yl-1,2-oxazol-4-yl)-2-pyridinyl]carbamoyl]phenyl]imidazol-4-yl]cyclopropyl]propan-2-yl]pyrazol-3-yl]-2-pyridinyl]-4-methylbenzamide

C50H47F2N11O3 — CID 146431074

About 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[2-[1-[2-[1-[4-fluoro-2-methyl-5-[[6-(3-propan-2-yl-1,2-oxazol-4-yl)-2-pyridinyl]carbamoyl]phenyl]imidazol-4-yl]cyclopropyl]propan-2-yl]pyrazol-3-yl]-2-pyridinyl]-4-methylbenzamide

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[2-[1-[2-[1-[4-fluoro-2-methyl-5-[[6-(3-propan-2-yl-1,2-oxazol-4-yl)-2-pyridinyl]carbamoyl]phenyl]imidazol-4-yl]cyclopropyl]propan-2-yl]pyrazol-3-yl]-2-pyridinyl]-4-methylbenzamide (PubChem CID 146431074) has the molecular formula C50H47F2N11O3 and a molecular weight of 888.00 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[2-[1-[2-[1-[4-fluoro-2-methyl-5-[[6-(3-propan-2-yl-1,2-oxazol-4-yl)-2-pyridinyl]carbamoyl]phenyl]imidazol-4-yl]cyclopropyl]propan-2-yl]pyrazol-3-yl]-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

• Compound Name: 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[2-[1-[2-[1-[4-fluoro-2-methyl-5-[[6-(3-propan-2-yl-1,2-oxazol-4-yl)-2-pyridinyl]carbamoyl]phenyl]imidazol-4-yl]cyclopropyl]propan-2-yl]pyrazol-3-yl]-2-pyridinyl]-4-methylbenzamide
• PubChem CID: 146431074
• Molecular Formula: C50H47F2N11O3
• Molecular Weight: 888.00 g/mol
• Exact Mass: 887.38
• IUPAC Name: 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[2-[1-[2-[1-[4-fluoro-2-methyl-5-[[6-(3-propan-2-yl-1,2-oxazol-4-yl)-2-pyridinyl]carbamoyl]phenyl]imidazol-4-yl]cyclopropyl]propan-2-yl]pyrazol-3-yl]-2-pyridinyl]-4-methylbenzamide
• SMILES: Cc1cc(F)c(C(=O)Nc2cccc(-c3conc3C(C)C)n2)cc1-n1cnc(C2CC2CC(C)n2nccc2-c2cccc(NC(=O)c3cc(-n4cnc(C5CC5)c4)c(C)cc3F)n2)c1
• InChI: InChI=1S/C50H47F2N11O3/c1-27(2)48-36(24-66-60-48)39-8-6-10-46(56-39)58-49(64)35-21-45(29(4)17-38(35)52)62-23-42(54-26-62)33-19-32(33)18-30(5)63-43(14-15-55-63)40-9-7-11-47(57-40)59-50(65)34-20-44(28(3)16-37(34)51)61-22-41(53-25-61)31-12-13-31/h6-11,14-17,20-27,30-33H,12-13,18-19H2,1-5H3,(H,56,58,64)(H,57,59,65)
• InChIKey: PVEVWZDZFVKLPP-UHFFFAOYSA-N
• XLogP: 10.52
• TPSA: 163.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	888.00
LogP ≤ 5	10.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[2-[1-[2-[1-[4-fluoro-2-methyl-5-[[6-(3-propan-2-yl-1,2-oxazol-4-yl)-2-pyridinyl]carbamoyl]phenyl]imidazol-4-yl]cyclopropyl]propan-2-yl]pyrazol-3-yl]-2-pyridinyl]-4-methylbenzamide?

The IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[2-[1-[2-[1-[4-fluoro-2-methyl-5-[[6-(3-propan-2-yl-1,2-oxazol-4-yl)-2-pyridinyl]carbamoyl]phenyl]imidazol-4-yl]cyclopropyl]propan-2-yl]pyrazol-3-yl]-2-pyridinyl]-4-methylbenzamide (CID 146431074) is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[2-[1-[2-[1-[4-fluoro-2-methyl-5-[[6-(3-propan-2-yl-1,2-oxazol-4-yl)-2-pyridinyl]carbamoyl]phenyl]imidazol-4-yl]cyclopropyl]propan-2-yl]pyrazol-3-yl]-2-pyridinyl]-4-methylbenzamide.

What is the SMILES notation for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[2-[1-[2-[1-[4-fluoro-2-methyl-5-[[6-(3-propan-2-yl-1,2-oxazol-4-yl)-2-pyridinyl]carbamoyl]phenyl]imidazol-4-yl]cyclopropyl]propan-2-yl]pyrazol-3-yl]-2-pyridinyl]-4-methylbenzamide?

The canonical SMILES for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[2-[1-[2-[1-[4-fluoro-2-methyl-5-[[6-(3-propan-2-yl-1,2-oxazol-4-yl)-2-pyridinyl]carbamoyl]phenyl]imidazol-4-yl]cyclopropyl]propan-2-yl]pyrazol-3-yl]-2-pyridinyl]-4-methylbenzamide is Cc1cc(F)c(C(=O)Nc2cccc(-c3conc3C(C)C)n2)cc1-n1cnc(C2CC2CC(C)n2nccc2-c2cccc(NC(=O)c3cc(-n4cnc(C5CC5)c4)c(C)cc3F)n2)c1.

What is the InChIKey of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[2-[1-[2-[1-[4-fluoro-2-methyl-5-[[6-(3-propan-2-yl-1,2-oxazol-4-yl)-2-pyridinyl]carbamoyl]phenyl]imidazol-4-yl]cyclopropyl]propan-2-yl]pyrazol-3-yl]-2-pyridinyl]-4-methylbenzamide?

The InChIKey is PVEVWZDZFVKLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H47F2N11O3/c1-27(2)48-36(24-66-60-48)39-8-6-10-46(56-39)58-49(64)35-21-45(29(4)17-38(35)52)62-23-42(54-26-62)33-19-32(33)18-30(5)63-43(14-15-55-63)40-9-7-11-47(57-40)59-50(65)34-20-44(28(3)16-37(34)51)61-22-41(53-25-61)31-12-13-31/h6-11,14-17,20-27,30-33H,12-13,18-19H2,1-5H3,(H,56,58,64)(H,57,59,65).

What are the key properties of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[2-[1-[2-[1-[4-fluoro-2-methyl-5-[[6-(3-propan-2-yl-1,2-oxazol-4-yl)-2-pyridinyl]carbamoyl]phenyl]imidazol-4-yl]cyclopropyl]propan-2-yl]pyrazol-3-yl]-2-pyridinyl]-4-methylbenzamide?

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[2-[1-[2-[1-[4-fluoro-2-methyl-5-[[6-(3-propan-2-yl-1,2-oxazol-4-yl)-2-pyridinyl]carbamoyl]phenyl]imidazol-4-yl]cyclopropyl]propan-2-yl]pyrazol-3-yl]-2-pyridinyl]-4-methylbenzamide has a molecular weight of 888.00 g/mol, XLogP of 10.52, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[2-[1-[2-[1-[4-fluoro-2-methyl-5-[[6-(3-propan-2-yl-1,2-oxazol-4-yl)-2-pyridinyl]carbamoyl]phenyl]imidazol-4-yl]cyclopropyl]propan-2-yl]pyrazol-3-yl]-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 146431074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).