sodium;7-[3,4-bis(4-fluorophenyl)-5-[(5-methoxycarbonyl-2-pyridinyl)carbamoyl]-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyheptanoic acid;hydride

C34H36F2N3NaO7 — CID 173183659

IUPACsodium;7-[3,4-bis(4-fluorophenyl)-5-[(5-methoxycarbonyl-2-pyridinyl)carbamoyl]-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyheptanoic acid;hydride
SMILESCOC(=O)c1ccc(NC(=O)c2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c(CCC(O)CC(O)CC(=O)O)n2C(C)C)nc1.[H-].[Na+]
InChIInChI=1S/C34H35F2N3O7.Na.H/c1-19(2)39-27(14-13-25(40)16-26(41)17-29(42)43)30(20-4-9-23(35)10-5-20)31(21-6-11-24(36)12-7-21)32(39)33(44)38-28-15-8-22(18-37-28)34(45)46-3;;/h4-12,15,18-19,25-26,40-41H,13-14,16-17H2,1-3H3,(H,42,43)(H,37,38,44);;/q;+1;-1
InChIKeyIWAZMPZCKJNZOH-UHFFFAOYSA-N
MW659.66 g/mol
LogP2.75
Rot. Bonds13

About sodium;7-[3,4-bis(4-fluorophenyl)-5-[(5-methoxycarbonyl-2-pyridinyl)carbamoyl]-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyheptanoic acid;hydride

sodium;7-[3,4-bis(4-fluorophenyl)-5-[(5-methoxycarbonyl-2-pyridinyl)carbamoyl]-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyheptanoic acid;hydride (PubChem CID 173183659) has the molecular formula C34H36F2N3NaO7 and a molecular weight of 659.66 g/mol. Its IUPAC name is sodium;7-[3,4-bis(4-fluorophenyl)-5-[(5-methoxycarbonyl-2-pyridinyl)carbamoyl]-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyheptanoic acid;hydride.

Molecular Properties

Compound Namesodium;7-[3,4-bis(4-fluorophenyl)-5-[(5-methoxycarbonyl-2-pyridinyl)carbamoyl]-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyheptanoic acid;hydride
PubChem CID173183659
Molecular FormulaC34H36F2N3NaO7
Molecular Weight659.66 g/mol
Exact Mass659.24
IUPAC Namesodium;7-[3,4-bis(4-fluorophenyl)-5-[(5-methoxycarbonyl-2-pyridinyl)carbamoyl]-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyheptanoic acid;hydride
SMILESCOC(=O)c1ccc(NC(=O)c2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c(CCC(O)CC(O)CC(=O)O)n2C(C)C)nc1.[H-].[Na+]
InChIInChI=1S/C34H35F2N3O7.Na.H/c1-19(2)39-27(14-13-25(40)16-26(41)17-29(42)43)30(20-4-9-23(35)10-5-20)31(21-6-11-24(36)12-7-21)32(39)33(44)38-28-15-8-22(18-37-28)34(45)46-3;;/h4-12,15,18-19,25-26,40-41H,13-14,16-17H2,1-3H3,(H,42,43)(H,37,38,44);;/q;+1;-1
InChIKeyIWAZMPZCKJNZOH-UHFFFAOYSA-N
XLogP2.75
TPSA150.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500659.66
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze sodium;7-[3,4-bis(4-fluorophenyl)-5-[(5-methoxycarbonyl-2-pyridinyl)carbamoyl]-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyheptanoic acid;hydride with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;7-[3,4-bis(4-fluorophenyl)-5-[(5-methoxycarbonyl-2-pyridinyl)carbamoyl]-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyheptanoic acid;hydride?
The IUPAC name of sodium;7-[3,4-bis(4-fluorophenyl)-5-[(5-methoxycarbonyl-2-pyridinyl)carbamoyl]-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyheptanoic acid;hydride (CID 173183659) is sodium;7-[3,4-bis(4-fluorophenyl)-5-[(5-methoxycarbonyl-2-pyridinyl)carbamoyl]-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyheptanoic acid;hydride.
What is the SMILES notation for sodium;7-[3,4-bis(4-fluorophenyl)-5-[(5-methoxycarbonyl-2-pyridinyl)carbamoyl]-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyheptanoic acid;hydride?
The canonical SMILES for sodium;7-[3,4-bis(4-fluorophenyl)-5-[(5-methoxycarbonyl-2-pyridinyl)carbamoyl]-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyheptanoic acid;hydride is COC(=O)c1ccc(NC(=O)c2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c(CCC(O)CC(O)CC(=O)O)n2C(C)C)nc1.[H-].[Na+].
What is the InChIKey of sodium;7-[3,4-bis(4-fluorophenyl)-5-[(5-methoxycarbonyl-2-pyridinyl)carbamoyl]-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyheptanoic acid;hydride?
The InChIKey is IWAZMPZCKJNZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35F2N3O7.Na.H/c1-19(2)39-27(14-13-25(40)16-26(41)17-29(42)43)30(20-4-9-23(35)10-5-20)31(21-6-11-24(36)12-7-21)32(39)33(44)38-28-15-8-22(18-37-28)34(45)46-3;;/h4-12,15,18-19,25-26,40-41H,13-14,16-17H2,1-3H3,(H,42,43)(H,37,38,44);;/q;+1;-1.
What are the key properties of sodium;7-[3,4-bis(4-fluorophenyl)-5-[(5-methoxycarbonyl-2-pyridinyl)carbamoyl]-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyheptanoic acid;hydride?
sodium;7-[3,4-bis(4-fluorophenyl)-5-[(5-methoxycarbonyl-2-pyridinyl)carbamoyl]-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyheptanoic acid;hydride has a molecular weight of 659.66 g/mol, XLogP of 2.75, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;7-[3,4-bis(4-fluorophenyl)-5-[(5-methoxycarbonyl-2-pyridinyl)carbamoyl]-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyheptanoic acid;hydride is sourced from PubChem (CID 173183659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).