[(10R,23R)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(pyridine-2-carbonylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-10-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate

C35H35FN6O6 — CID 169185173

About [(10R,23R)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(pyridine-2-carbonylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-10-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate

[(10R,23R)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(pyridine-2-carbonylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-10-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate (PubChem CID 169185173) has the molecular formula C35H35FN6O6 and a molecular weight of 654.70 g/mol. Its IUPAC name is [(10R,23R)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(pyridine-2-carbonylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-10-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate.

Molecular Properties

• Compound Name: [(10R,23R)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(pyridine-2-carbonylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-10-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate
• PubChem CID: 169185173
• Molecular Formula: C35H35FN6O6
• Molecular Weight: 654.70 g/mol
• Exact Mass: 654.26
• IUPAC Name: [(10R,23R)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(pyridine-2-carbonylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-10-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate
• SMILES: CC[C@]1(OC(=O)N(C)CCNC)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@H](NC(=O)c1ccccn1)CC3
• InChI: InChI=1S/C35H35FN6O6/c1-5-35(48-34(46)41(4)13-12-37-3)22-14-27-30-20(16-42(27)32(44)21(22)17-47-33(35)45)29-24(40-31(43)25-8-6-7-11-38-25)10-9-19-18(2)23(36)15-26(39-30)28(19)29/h6-8,11,14-15,24,37H,5,9-10,12-13,16-17H2,1-4H3,(H,40,43)/t24-,35-/m1/s1
• InChIKey: MLWSNSKYTPHXAU-CGDLVVIGSA-N
• XLogP: 3.63
• TPSA: 144.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	654.70
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [(10R,23R)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(pyridine-2-carbonylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-10-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate?

The IUPAC name of [(10R,23R)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(pyridine-2-carbonylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-10-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate (CID 169185173) is [(10R,23R)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(pyridine-2-carbonylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-10-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate.

What is the SMILES notation for [(10R,23R)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(pyridine-2-carbonylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-10-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate?

The canonical SMILES for [(10R,23R)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(pyridine-2-carbonylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-10-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate is CC[C@]1(OC(=O)N(C)CCNC)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@H](NC(=O)c1ccccn1)CC3.

What is the InChIKey of [(10R,23R)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(pyridine-2-carbonylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-10-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate?

The InChIKey is MLWSNSKYTPHXAU-CGDLVVIGSA-N. The full InChI is InChI=1S/C35H35FN6O6/c1-5-35(48-34(46)41(4)13-12-37-3)22-14-27-30-20(16-42(27)32(44)21(22)17-47-33(35)45)29-24(40-31(43)25-8-6-7-11-38-25)10-9-19-18(2)23(36)15-26(39-30)28(19)29/h6-8,11,14-15,24,37H,5,9-10,12-13,16-17H2,1-4H3,(H,40,43)/t24-,35-/m1/s1.

What are the key properties of [(10R,23R)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(pyridine-2-carbonylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-10-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate?

[(10R,23R)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(pyridine-2-carbonylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-10-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate has a molecular weight of 654.70 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(10R,23R)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(pyridine-2-carbonylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-10-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate is sourced from PubChem (CID 169185173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).