potassium;5-[3-[(E)-3-[4-(4-acetyl-2-fluoro-6-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;2-(6-ethyl-3,4,4-trimethyl-3H-2,1-benzoxazin-1-yl)pentanamide

C67H101FKN7O4 — CID 177356372

About potassium;5-[3-[(E)-3-[4-(4-acetyl-2-fluoro-6-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;2-(6-ethyl-3,4,4-trimethyl-3H-2,1-benzoxazin-1-yl)pentanamide

potassium;5-[3-[(E)-3-[4-(4-acetyl-2-fluoro-6-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;2-(6-ethyl-3,4,4-trimethyl-3H-2,1-benzoxazin-1-yl)pentanamide (PubChem CID 177356372) has the molecular formula C67H101FKN7O4 and a molecular weight of 1126.69 g/mol. Its IUPAC name is potassium;5-[3-[(E)-3-[4-(4-acetyl-2-fluoro-6-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;2-(6-ethyl-3,4,4-trimethyl-3H-2,1-benzoxazin-1-yl)pentanamide.

Molecular Properties

• Compound Name: potassium;5-[3-[(E)-3-[4-(4-acetyl-2-fluoro-6-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;2-(6-ethyl-3,4,4-trimethyl-3H-2,1-benzoxazin-1-yl)pentanamide
• PubChem CID: 177356372
• Molecular Formula: C67H101FKN7O4
• Molecular Weight: 1126.69 g/mol
• Exact Mass: 1125.75
• IUPAC Name: potassium;5-[3-[(E)-3-[4-(4-acetyl-2-fluoro-6-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;2-(6-ethyl-3,4,4-trimethyl-3H-2,1-benzoxazin-1-yl)pentanamide
• SMILES: CC.CC(=O)c1cc(C)c(C2=CCN(C(C)/C(C)=C/c3c(-n4ccc5c(c4=O)CCN5)ccnc3C)CC2)c(F)c1.CCCC(CCC)CN(CCC)C(C)CC.[CH2-]CCC(C(N)=O)N1OC(C)C(C)(C)c2cc(CC)ccc21.[K+]
• InChI: InChI=1S/C32H35FN4O2.C18H27N2O2.C15H33N.C2H6.K/c1-19(17-27-21(3)34-12-7-30(27)37-15-10-29-26(32(37)39)6-11-35-29)22(4)36-13-8-24(9-14-36)31-20(2)16-25(23(5)38)18-28(31)33;1-6-8-16(17(19)21)20-15-10-9-13(7-2)11-14(15)18(4,5)12(3)22-20;1-6-10-15(11-7-2)13-16(12-8-3)14(5)9-4;1-2;/h7-8,10,12,15-18,22,35H,6,9,11,13-14H2,1-5H3;9-12,16H,1,6-8H2,2-5H3,(H2,19,21);14-15H,6-13H2,1-5H3;1-2H3;/q;-1;;;+1/b19-17+
• InChIKey: GJBAAWSISZNTIW-OCLPBJNOSA-N
• XLogP: 11.62
• TPSA: 126.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 21
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1126.69
LogP ≤ 5	11.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;5-[3-[(E)-3-[4-(4-acetyl-2-fluoro-6-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;2-(6-ethyl-3,4,4-trimethyl-3H-2,1-benzoxazin-1-yl)pentanamide?

The IUPAC name of potassium;5-[3-[(E)-3-[4-(4-acetyl-2-fluoro-6-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;2-(6-ethyl-3,4,4-trimethyl-3H-2,1-benzoxazin-1-yl)pentanamide (CID 177356372) is potassium;5-[3-[(E)-3-[4-(4-acetyl-2-fluoro-6-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;2-(6-ethyl-3,4,4-trimethyl-3H-2,1-benzoxazin-1-yl)pentanamide.

What is the SMILES notation for potassium;5-[3-[(E)-3-[4-(4-acetyl-2-fluoro-6-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;2-(6-ethyl-3,4,4-trimethyl-3H-2,1-benzoxazin-1-yl)pentanamide?

The canonical SMILES for potassium;5-[3-[(E)-3-[4-(4-acetyl-2-fluoro-6-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;2-(6-ethyl-3,4,4-trimethyl-3H-2,1-benzoxazin-1-yl)pentanamide is CC.CC(=O)c1cc(C)c(C2=CCN(C(C)/C(C)=C/c3c(-n4ccc5c(c4=O)CCN5)ccnc3C)CC2)c(F)c1.CCCC(CCC)CN(CCC)C(C)CC.[CH2-]CCC(C(N)=O)N1OC(C)C(C)(C)c2cc(CC)ccc21.[K+].

What is the InChIKey of potassium;5-[3-[(E)-3-[4-(4-acetyl-2-fluoro-6-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;2-(6-ethyl-3,4,4-trimethyl-3H-2,1-benzoxazin-1-yl)pentanamide?

The InChIKey is GJBAAWSISZNTIW-OCLPBJNOSA-N. The full InChI is InChI=1S/C32H35FN4O2.C18H27N2O2.C15H33N.C2H6.K/c1-19(17-27-21(3)34-12-7-30(27)37-15-10-29-26(32(37)39)6-11-35-29)22(4)36-13-8-24(9-14-36)31-20(2)16-25(23(5)38)18-28(31)33;1-6-8-16(17(19)21)20-15-10-9-13(7-2)11-14(15)18(4,5)12(3)22-20;1-6-10-15(11-7-2)13-16(12-8-3)14(5)9-4;1-2;/h7-8,10,12,15-18,22,35H,6,9,11,13-14H2,1-5H3;9-12,16H,1,6-8H2,2-5H3,(H2,19,21);14-15H,6-13H2,1-5H3;1-2H3;/q;-1;;;+1/b19-17+;;;;.

What are the key properties of potassium;5-[3-[(E)-3-[4-(4-acetyl-2-fluoro-6-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;2-(6-ethyl-3,4,4-trimethyl-3H-2,1-benzoxazin-1-yl)pentanamide?

potassium;5-[3-[(E)-3-[4-(4-acetyl-2-fluoro-6-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;2-(6-ethyl-3,4,4-trimethyl-3H-2,1-benzoxazin-1-yl)pentanamide has a molecular weight of 1126.69 g/mol, XLogP of 11.62, 21 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;5-[3-[(E)-3-[4-(4-acetyl-2-fluoro-6-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;2-(6-ethyl-3,4,4-trimethyl-3H-2,1-benzoxazin-1-yl)pentanamide is sourced from PubChem (CID 177356372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).