19-fluoro-23-methyl-8-nitro-18-(propylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaen-22-one;4-methylmorpholine;pyrrolidine-1-carbaldehyde

C35H39FN6O7 — CID 142953687

About 19-fluoro-23-methyl-8-nitro-18-(propylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaen-22-one;4-methylmorpholine;pyrrolidine-1-carbaldehyde

19-fluoro-23-methyl-8-nitro-18-(propylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaen-22-one;4-methylmorpholine;pyrrolidine-1-carbaldehyde (PubChem CID 142953687) has the molecular formula C35H39FN6O7 and a molecular weight of 674.73 g/mol. Its IUPAC name is 19-fluoro-23-methyl-8-nitro-18-(propylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaen-22-one;4-methylmorpholine;pyrrolidine-1-carbaldehyde.

Molecular Properties

• Compound Name: 19-fluoro-23-methyl-8-nitro-18-(propylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaen-22-one;4-methylmorpholine;pyrrolidine-1-carbaldehyde
• PubChem CID: 142953687
• Molecular Formula: C35H39FN6O7
• Molecular Weight: 674.73 g/mol
• Exact Mass: 674.29
• IUPAC Name: 19-fluoro-23-methyl-8-nitro-18-(propylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaen-22-one;4-methylmorpholine;pyrrolidine-1-carbaldehyde
• SMILES: CCCNc1c(F)cc2c(=O)c(C)cn3c4cc5oc6cc([N+](=O)[O-])ccc6[nH]c5cc4oc1c23.CN1CCOCC1.O=CN1CCCC1
• InChI: InChI=1S/C25H19FN4O5.C5H11NO.C5H9NO/c1-3-6-27-22-15(26)8-14-23-25(22)35-21-9-17-20(10-18(21)29(23)11-12(2)24(14)31)34-19-7-13(30(32)33)4-5-16(19)28-17;1-6-2-4-7-5-3-6;7-5-6-3-1-2-4-6/h4-5,7-11,27-28H,3,6H2,1-2H3;2-5H2,1H3;5H,1-4H2
• InChIKey: OLNCKELKGZANBL-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 151.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.73
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 19-fluoro-23-methyl-8-nitro-18-(propylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaen-22-one;4-methylmorpholine;pyrrolidine-1-carbaldehyde?

The IUPAC name of 19-fluoro-23-methyl-8-nitro-18-(propylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaen-22-one;4-methylmorpholine;pyrrolidine-1-carbaldehyde (CID 142953687) is 19-fluoro-23-methyl-8-nitro-18-(propylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaen-22-one;4-methylmorpholine;pyrrolidine-1-carbaldehyde.

What is the SMILES notation for 19-fluoro-23-methyl-8-nitro-18-(propylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaen-22-one;4-methylmorpholine;pyrrolidine-1-carbaldehyde?

The canonical SMILES for 19-fluoro-23-methyl-8-nitro-18-(propylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaen-22-one;4-methylmorpholine;pyrrolidine-1-carbaldehyde is CCCNc1c(F)cc2c(=O)c(C)cn3c4cc5oc6cc([N+](=O)[O-])ccc6[nH]c5cc4oc1c23.CN1CCOCC1.O=CN1CCCC1.

What is the InChIKey of 19-fluoro-23-methyl-8-nitro-18-(propylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaen-22-one;4-methylmorpholine;pyrrolidine-1-carbaldehyde?

The InChIKey is OLNCKELKGZANBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O5.C5H11NO.C5H9NO/c1-3-6-27-22-15(26)8-14-23-25(22)35-21-9-17-20(10-18(21)29(23)11-12(2)24(14)31)34-19-7-13(30(32)33)4-5-16(19)28-17;1-6-2-4-7-5-3-6;7-5-6-3-1-2-4-6/h4-5,7-11,27-28H,3,6H2,1-2H3;2-5H2,1H3;5H,1-4H2.

What are the key properties of 19-fluoro-23-methyl-8-nitro-18-(propylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaen-22-one;4-methylmorpholine;pyrrolidine-1-carbaldehyde?

19-fluoro-23-methyl-8-nitro-18-(propylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaen-22-one;4-methylmorpholine;pyrrolidine-1-carbaldehyde has a molecular weight of 674.73 g/mol, XLogP of 6.35, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 19-fluoro-23-methyl-8-nitro-18-(propylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaen-22-one;4-methylmorpholine;pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 142953687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).