15-fluoro-14-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;(6R)-6-methyl-4-azatricyclo[5.2.0.01,4]nonane

C37H41FN4O3 — CID 142953716

About 15-fluoro-14-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;(6R)-6-methyl-4-azatricyclo[5.2.0.01,4]nonane

15-fluoro-14-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;(6R)-6-methyl-4-azatricyclo[5.2.0.01,4]nonane (PubChem CID 142953716) has the molecular formula C37H41FN4O3 and a molecular weight of 608.76 g/mol. Its IUPAC name is 15-fluoro-14-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;(6R)-6-methyl-4-azatricyclo[5.2.0.01,4]nonane.

Molecular Properties

• Compound Name: 15-fluoro-14-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;(6R)-6-methyl-4-azatricyclo[5.2.0.01,4]nonane
• PubChem CID: 142953716
• Molecular Formula: C37H41FN4O3
• Molecular Weight: 608.76 g/mol
• Exact Mass: 608.32
• IUPAC Name: 15-fluoro-14-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;(6R)-6-methyl-4-azatricyclo[5.2.0.01,4]nonane
• SMILES: C[C@H]1CN2CCC23CCC13.Cc1c(F)cc2c(=O)c(C(=O)NCCC3CCCN3C)cn3c2c1Oc1cc2ccccc2cc1-3
• InChI: InChI=1S/C28H26FN3O3.C9H15N/c1-16-22(29)14-20-25-27(16)35-24-13-18-7-4-3-6-17(18)12-23(24)32(25)15-21(26(20)33)28(34)30-10-9-19-8-5-11-31(19)2;1-7-6-10-5-4-9(10)3-2-8(7)9/h3-4,6-7,12-15,19H,5,8-11H2,1-2H3,(H,30,34);7-8H,2-6H2,1H3/t;7-,8?,9?/m.0/s1
• InChIKey: VMJRIINSRFTBAW-JTKTYOJJSA-N
• XLogP: 6.40
• TPSA: 66.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.76
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 15-fluoro-14-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;(6R)-6-methyl-4-azatricyclo[5.2.0.01,4]nonane?

The IUPAC name of 15-fluoro-14-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;(6R)-6-methyl-4-azatricyclo[5.2.0.01,4]nonane (CID 142953716) is 15-fluoro-14-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;(6R)-6-methyl-4-azatricyclo[5.2.0.01,4]nonane.

What is the SMILES notation for 15-fluoro-14-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;(6R)-6-methyl-4-azatricyclo[5.2.0.01,4]nonane?

The canonical SMILES for 15-fluoro-14-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;(6R)-6-methyl-4-azatricyclo[5.2.0.01,4]nonane is C[C@H]1CN2CCC23CCC13.Cc1c(F)cc2c(=O)c(C(=O)NCCC3CCCN3C)cn3c2c1Oc1cc2ccccc2cc1-3.

What is the InChIKey of 15-fluoro-14-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;(6R)-6-methyl-4-azatricyclo[5.2.0.01,4]nonane?

The InChIKey is VMJRIINSRFTBAW-JTKTYOJJSA-N. The full InChI is InChI=1S/C28H26FN3O3.C9H15N/c1-16-22(29)14-20-25-27(16)35-24-13-18-7-4-3-6-17(18)12-23(24)32(25)15-21(26(20)33)28(34)30-10-9-19-8-5-11-31(19)2;1-7-6-10-5-4-9(10)3-2-8(7)9/h3-4,6-7,12-15,19H,5,8-11H2,1-2H3,(H,30,34);7-8H,2-6H2,1H3/t;7-,8?,9?/m.0/s1.

What are the key properties of 15-fluoro-14-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;(6R)-6-methyl-4-azatricyclo[5.2.0.01,4]nonane?

15-fluoro-14-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;(6R)-6-methyl-4-azatricyclo[5.2.0.01,4]nonane has a molecular weight of 608.76 g/mol, XLogP of 6.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 15-fluoro-14-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;(6R)-6-methyl-4-azatricyclo[5.2.0.01,4]nonane is sourced from PubChem (CID 142953716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).