(E)-7-[3,4-bis(4-fluorophenyl)-5-methyl-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyhept-6-enoic acid;N-(pyridin-3-ylmethyl)formamide

C34H37F2N3O5 — CID 143060055

About (E)-7-[3,4-bis(4-fluorophenyl)-5-methyl-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyhept-6-enoic acid;N-(pyridin-3-ylmethyl)formamide

(E)-7-[3,4-bis(4-fluorophenyl)-5-methyl-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyhept-6-enoic acid;N-(pyridin-3-ylmethyl)formamide (PubChem CID 143060055) has the molecular formula C34H37F2N3O5 and a molecular weight of 605.68 g/mol. Its IUPAC name is (E)-7-[3,4-bis(4-fluorophenyl)-5-methyl-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyhept-6-enoic acid;N-(pyridin-3-ylmethyl)formamide.

Molecular Properties

• Compound Name: (E)-7-[3,4-bis(4-fluorophenyl)-5-methyl-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyhept-6-enoic acid;N-(pyridin-3-ylmethyl)formamide
• PubChem CID: 143060055
• Molecular Formula: C34H37F2N3O5
• Molecular Weight: 605.68 g/mol
• Exact Mass: 605.27
• IUPAC Name: (E)-7-[3,4-bis(4-fluorophenyl)-5-methyl-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyhept-6-enoic acid;N-(pyridin-3-ylmethyl)formamide
• SMILES: Cc1c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c(/C=C/C(O)CC(O)CC(=O)O)n1C(C)C.O=CNCc1cccnc1
• InChI: InChI=1S/C27H29F2NO4.C7H8N2O/c1-16(2)30-17(3)26(18-4-8-20(28)9-5-18)27(19-6-10-21(29)11-7-19)24(30)13-12-22(31)14-23(32)15-25(33)34;10-6-9-5-7-2-1-3-8-4-7/h4-13,16,22-23,31-32H,14-15H2,1-3H3,(H,33,34);1-4,6H,5H2,(H,9,10)/b13-12+
• InChIKey: PJUDVZFQCVIMHS-UEIGIMKUSA-N
• XLogP: 5.92
• TPSA: 124.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.68
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-7-[3,4-bis(4-fluorophenyl)-5-methyl-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyhept-6-enoic acid;N-(pyridin-3-ylmethyl)formamide?

The IUPAC name of (E)-7-[3,4-bis(4-fluorophenyl)-5-methyl-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyhept-6-enoic acid;N-(pyridin-3-ylmethyl)formamide (CID 143060055) is (E)-7-[3,4-bis(4-fluorophenyl)-5-methyl-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyhept-6-enoic acid;N-(pyridin-3-ylmethyl)formamide.

What is the SMILES notation for (E)-7-[3,4-bis(4-fluorophenyl)-5-methyl-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyhept-6-enoic acid;N-(pyridin-3-ylmethyl)formamide?

The canonical SMILES for (E)-7-[3,4-bis(4-fluorophenyl)-5-methyl-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyhept-6-enoic acid;N-(pyridin-3-ylmethyl)formamide is Cc1c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c(/C=C/C(O)CC(O)CC(=O)O)n1C(C)C.O=CNCc1cccnc1.

What is the InChIKey of (E)-7-[3,4-bis(4-fluorophenyl)-5-methyl-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyhept-6-enoic acid;N-(pyridin-3-ylmethyl)formamide?

The InChIKey is PJUDVZFQCVIMHS-UEIGIMKUSA-N. The full InChI is InChI=1S/C27H29F2NO4.C7H8N2O/c1-16(2)30-17(3)26(18-4-8-20(28)9-5-18)27(19-6-10-21(29)11-7-19)24(30)13-12-22(31)14-23(32)15-25(33)34;10-6-9-5-7-2-1-3-8-4-7/h4-13,16,22-23,31-32H,14-15H2,1-3H3,(H,33,34);1-4,6H,5H2,(H,9,10)/b13-12+;.

What are the key properties of (E)-7-[3,4-bis(4-fluorophenyl)-5-methyl-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyhept-6-enoic acid;N-(pyridin-3-ylmethyl)formamide?

(E)-7-[3,4-bis(4-fluorophenyl)-5-methyl-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyhept-6-enoic acid;N-(pyridin-3-ylmethyl)formamide has a molecular weight of 605.68 g/mol, XLogP of 5.92, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-7-[3,4-bis(4-fluorophenyl)-5-methyl-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyhept-6-enoic acid;N-(pyridin-3-ylmethyl)formamide is sourced from PubChem (CID 143060055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).