N-[[[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-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-23-yl]amino]methyl]-3-(hydroxymethyl)cyclopentane-1-carboxamide

C32H35FN4O6 — CID 166119271

About N-[[[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-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-23-yl]amino]methyl]-3-(hydroxymethyl)cyclopentane-1-carboxamide

N-[[[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-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-23-yl]amino]methyl]-3-(hydroxymethyl)cyclopentane-1-carboxamide (PubChem CID 166119271) has the molecular formula C32H35FN4O6 and a molecular weight of 590.65 g/mol. Its IUPAC name is N-[[[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-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-23-yl]amino]methyl]-3-(hydroxymethyl)cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: N-[[[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-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-23-yl]amino]methyl]-3-(hydroxymethyl)cyclopentane-1-carboxamide
• PubChem CID: 166119271
• Molecular Formula: C32H35FN4O6
• Molecular Weight: 590.65 g/mol
• Exact Mass: 590.25
• IUPAC Name: N-[[[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-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-23-yl]amino]methyl]-3-(hydroxymethyl)cyclopentane-1-carboxamide
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@H](NCNC(=O)C1CCC(CO)C1)CC3
• InChI: InChI=1S/C32H35FN4O6/c1-3-32(42)21-9-25-28-19(11-37(25)30(40)20(21)13-43-31(32)41)27-23(34-14-35-29(39)17-5-4-16(8-17)12-38)7-6-18-15(2)22(33)10-24(36-28)26(18)27/h9-10,16-17,23,34,38,42H,3-8,11-14H2,1-2H3,(H,35,39)/t16?,17?,23-,32+/m1/s1
• InChIKey: JVALWKGNNLDJOF-CTTUWDOLSA-N
• XLogP: 2.59
• TPSA: 142.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.65
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-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-23-yl]amino]methyl]-3-(hydroxymethyl)cyclopentane-1-carboxamide?

The IUPAC name of N-[[[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-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-23-yl]amino]methyl]-3-(hydroxymethyl)cyclopentane-1-carboxamide (CID 166119271) is N-[[[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-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-23-yl]amino]methyl]-3-(hydroxymethyl)cyclopentane-1-carboxamide.

What is the SMILES notation for N-[[[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-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-23-yl]amino]methyl]-3-(hydroxymethyl)cyclopentane-1-carboxamide?

The canonical SMILES for N-[[[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-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-23-yl]amino]methyl]-3-(hydroxymethyl)cyclopentane-1-carboxamide is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@H](NCNC(=O)C1CCC(CO)C1)CC3.

What is the InChIKey of N-[[[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-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-23-yl]amino]methyl]-3-(hydroxymethyl)cyclopentane-1-carboxamide?

The InChIKey is JVALWKGNNLDJOF-CTTUWDOLSA-N. The full InChI is InChI=1S/C32H35FN4O6/c1-3-32(42)21-9-25-28-19(11-37(25)30(40)20(21)13-43-31(32)41)27-23(34-14-35-29(39)17-5-4-16(8-17)12-38)7-6-18-15(2)22(33)10-24(36-28)26(18)27/h9-10,16-17,23,34,38,42H,3-8,11-14H2,1-2H3,(H,35,39)/t16?,17?,23-,32+/m1/s1.

What are the key properties of N-[[[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-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-23-yl]amino]methyl]-3-(hydroxymethyl)cyclopentane-1-carboxamide?

N-[[[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-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-23-yl]amino]methyl]-3-(hydroxymethyl)cyclopentane-1-carboxamide has a molecular weight of 590.65 g/mol, XLogP of 2.59, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-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-23-yl]amino]methyl]-3-(hydroxymethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 166119271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).