4-(15-fluoro-11-oxo-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-4-yl)piperazine-1-carboxamide

C19H16FN5O3 — CID 67377118

IUPAC4-(15-fluoro-11-oxo-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-4-yl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(c2nc3c4ccc(F)cc4c4c(=O)[nH]ccc4c3o2)CC1
InChIInChI=1S/C19H16FN5O3/c20-10-1-2-11-13(9-10)14-12(3-4-22-17(14)26)16-15(11)23-19(28-16)25-7-5-24(6-8-25)18(21)27/h1-4,9H,5-8H2,(H2,21,27)(H,22,26)
InChIKeyGVOONBNFZDHMBX-UHFFFAOYSA-N
MW381.37 g/mol
LogP2.16
Rot. Bonds1

About 4-(15-fluoro-11-oxo-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-4-yl)piperazine-1-carboxamide

4-(15-fluoro-11-oxo-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-4-yl)piperazine-1-carboxamide (PubChem CID 67377118) has the molecular formula C19H16FN5O3 and a molecular weight of 381.37 g/mol. Its IUPAC name is 4-(15-fluoro-11-oxo-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(15-fluoro-11-oxo-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-4-yl)piperazine-1-carboxamide
PubChem CID67377118
Molecular FormulaC19H16FN5O3
Molecular Weight381.37 g/mol
Exact Mass381.12
IUPAC Name4-(15-fluoro-11-oxo-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-4-yl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(c2nc3c4ccc(F)cc4c4c(=O)[nH]ccc4c3o2)CC1
InChIInChI=1S/C19H16FN5O3/c20-10-1-2-11-13(9-10)14-12(3-4-22-17(14)26)16-15(11)23-19(28-16)25-7-5-24(6-8-25)18(21)27/h1-4,9H,5-8H2,(H2,21,27)(H,22,26)
InChIKeyGVOONBNFZDHMBX-UHFFFAOYSA-N
XLogP2.16
TPSA108.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(15-fluoro-11-oxo-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(15-fluoro-11-oxo-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-4-yl)piperazine-1-carboxamide (CID 67377118) is 4-(15-fluoro-11-oxo-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(15-fluoro-11-oxo-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(15-fluoro-11-oxo-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-4-yl)piperazine-1-carboxamide is NC(=O)N1CCN(c2nc3c4ccc(F)cc4c4c(=O)[nH]ccc4c3o2)CC1.
What is the InChIKey of 4-(15-fluoro-11-oxo-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-4-yl)piperazine-1-carboxamide?
The InChIKey is GVOONBNFZDHMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O3/c20-10-1-2-11-13(9-10)14-12(3-4-22-17(14)26)16-15(11)23-19(28-16)25-7-5-24(6-8-25)18(21)27/h1-4,9H,5-8H2,(H2,21,27)(H,22,26).
What are the key properties of 4-(15-fluoro-11-oxo-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-4-yl)piperazine-1-carboxamide?
4-(15-fluoro-11-oxo-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-4-yl)piperazine-1-carboxamide has a molecular weight of 381.37 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(15-fluoro-11-oxo-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 67377118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).