15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-14-(2-pyridin-2-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide

C35H28FN5O3 — CID 58745260

About 15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-14-(2-pyridin-2-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide

15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-14-(2-pyridin-2-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide (PubChem CID 58745260) has the molecular formula C35H28FN5O3 and a molecular weight of 585.64 g/mol. Its IUPAC name is 15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-14-(2-pyridin-2-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide.

Molecular Properties

• Compound Name: 15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-14-(2-pyridin-2-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide
• PubChem CID: 58745260
• Molecular Formula: C35H28FN5O3
• Molecular Weight: 585.64 g/mol
• Exact Mass: 585.22
• IUPAC Name: 15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-14-(2-pyridin-2-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide
• SMILES: CN(CCc1ccccn1)C(=O)c1cn2c3c(c(NCCc4ccccn4)c(F)cc3c1=O)Oc1ccc3ccccc3c1-2
• InChI: InChI=1S/C35H28FN5O3/c1-40(19-15-24-10-5-7-17-38-24)35(43)27-21-41-31-25-11-3-2-8-22(25)12-13-29(31)44-34-30(28(36)20-26(32(34)41)33(27)42)39-18-14-23-9-4-6-16-37-23/h2-13,16-17,20-21,39H,14-15,18-19H2,1H3
• InChIKey: VWTCOZUJNZJPSK-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.64
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-14-(2-pyridin-2-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide?

The IUPAC name of 15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-14-(2-pyridin-2-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide (CID 58745260) is 15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-14-(2-pyridin-2-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide.

What is the SMILES notation for 15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-14-(2-pyridin-2-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide?

The canonical SMILES for 15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-14-(2-pyridin-2-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide is CN(CCc1ccccn1)C(=O)c1cn2c3c(c(NCCc4ccccn4)c(F)cc3c1=O)Oc1ccc3ccccc3c1-2.

What is the InChIKey of 15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-14-(2-pyridin-2-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide?

The InChIKey is VWTCOZUJNZJPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28FN5O3/c1-40(19-15-24-10-5-7-17-38-24)35(43)27-21-41-31-25-11-3-2-8-22(25)12-13-29(31)44-34-30(28(36)20-26(32(34)41)33(27)42)39-18-14-23-9-4-6-16-37-23/h2-13,16-17,20-21,39H,14-15,18-19H2,1H3.

What are the key properties of 15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-14-(2-pyridin-2-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide?

15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-14-(2-pyridin-2-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide has a molecular weight of 585.64 g/mol, XLogP of 6.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-14-(2-pyridin-2-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide is sourced from PubChem (CID 58745260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).