(7S,10R)-22-fluoro-12-(4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carbonyl)-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione;hydrochloride

C34H45ClFN5O6 — CID 171708189

About (7S,10R)-22-fluoro-12-(4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carbonyl)-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione;hydrochloride

(7S,10R)-22-fluoro-12-(4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carbonyl)-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione;hydrochloride (PubChem CID 171708189) has the molecular formula C34H45ClFN5O6 and a molecular weight of 674.21 g/mol. Its IUPAC name is (7S,10R)-22-fluoro-12-(4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carbonyl)-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione;hydrochloride.

Molecular Properties

• Compound Name: (7S,10R)-22-fluoro-12-(4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carbonyl)-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione;hydrochloride
• PubChem CID: 171708189
• Molecular Formula: C34H45ClFN5O6
• Molecular Weight: 674.21 g/mol
• Exact Mass: 673.30
• IUPAC Name: (7S,10R)-22-fluoro-12-(4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carbonyl)-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione;hydrochloride
• SMILES: Cc1cc(C2CCNCC2)oc(=O)c1C(=O)N1CC(=O)NCCCc2ccc(F)c(c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(C)C)C1.Cl
• InChI: InChI=1S/C34H44FN5O6.ClH/c1-20(2)26-18-39(33(44)30-21(3)16-28(46-34(30)45)23-10-13-36-14-11-23)19-29(41)37-12-4-6-22-8-9-25(35)24(17-22)32(43)40-15-5-7-27(40)31(42)38-26;/h8-9,16-17,20,23,26-27,36H,4-7,10-15,18-19H2,1-3H3,(H,37,41)(H,38,42);1H/t26-,27-;/m0./s1
• InChIKey: PFJAVBKDALQBJH-WMXJXTQLSA-N
• XLogP: 2.93
• TPSA: 141.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	674.21
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (7S,10R)-22-fluoro-12-(4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carbonyl)-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione;hydrochloride?

The IUPAC name of (7S,10R)-22-fluoro-12-(4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carbonyl)-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione;hydrochloride (CID 171708189) is (7S,10R)-22-fluoro-12-(4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carbonyl)-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione;hydrochloride.

What is the SMILES notation for (7S,10R)-22-fluoro-12-(4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carbonyl)-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione;hydrochloride?

The canonical SMILES for (7S,10R)-22-fluoro-12-(4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carbonyl)-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione;hydrochloride is Cc1cc(C2CCNCC2)oc(=O)c1C(=O)N1CC(=O)NCCCc2ccc(F)c(c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(C)C)C1.Cl.

What is the InChIKey of (7S,10R)-22-fluoro-12-(4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carbonyl)-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione;hydrochloride?

The InChIKey is PFJAVBKDALQBJH-WMXJXTQLSA-N. The full InChI is InChI=1S/C34H44FN5O6.ClH/c1-20(2)26-18-39(33(44)30-21(3)16-28(46-34(30)45)23-10-13-36-14-11-23)19-29(41)37-12-4-6-22-8-9-25(35)24(17-22)32(43)40-15-5-7-27(40)31(42)38-26;/h8-9,16-17,20,23,26-27,36H,4-7,10-15,18-19H2,1-3H3,(H,37,41)(H,38,42);1H/t26-,27-;/m0./s1.

What are the key properties of (7S,10R)-22-fluoro-12-(4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carbonyl)-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione;hydrochloride?

(7S,10R)-22-fluoro-12-(4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carbonyl)-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione;hydrochloride has a molecular weight of 674.21 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (7S,10R)-22-fluoro-12-(4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carbonyl)-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione;hydrochloride is sourced from PubChem (CID 171708189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).