19,20-difluoro-14-(2-methylpropyl)-1,13,16-triazapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-2,4,6,8,10,15,17,19,21-nonaene-12,23-dione

C24H19F2N3O2 — CID 46904486

IUPAC19,20-difluoro-14-(2-methylpropyl)-1,13,16-triazapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-2,4,6,8,10,15,17,19,21-nonaene-12,23-dione
SMILESCC(C)CC1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(F)c(F)cc1c2=O
InChIInChI=1S/C24H19F2N3O2/c1-12(2)7-20-22-27-19-11-18(26)17(25)10-15(19)24(31)29(22)21-9-14-6-4-3-5-13(14)8-16(21)23(30)28-20/h3-6,8-12,20H,7H2,1-2H3,(H,28,30)
InChIKeyRTZQCWPMNLFXLT-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.65
Rot. Bonds2

About 19,20-difluoro-14-(2-methylpropyl)-1,13,16-triazapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-2,4,6,8,10,15,17,19,21-nonaene-12,23-dione

19,20-difluoro-14-(2-methylpropyl)-1,13,16-triazapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-2,4,6,8,10,15,17,19,21-nonaene-12,23-dione (PubChem CID 46904486) has the molecular formula C24H19F2N3O2 and a molecular weight of 419.43 g/mol. Its IUPAC name is 19,20-difluoro-14-(2-methylpropyl)-1,13,16-triazapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-2,4,6,8,10,15,17,19,21-nonaene-12,23-dione.

Molecular Properties

Compound Name19,20-difluoro-14-(2-methylpropyl)-1,13,16-triazapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-2,4,6,8,10,15,17,19,21-nonaene-12,23-dione
PubChem CID46904486
Molecular FormulaC24H19F2N3O2
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name19,20-difluoro-14-(2-methylpropyl)-1,13,16-triazapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-2,4,6,8,10,15,17,19,21-nonaene-12,23-dione
SMILESCC(C)CC1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(F)c(F)cc1c2=O
InChIInChI=1S/C24H19F2N3O2/c1-12(2)7-20-22-27-19-11-18(26)17(25)10-15(19)24(31)29(22)21-9-14-6-4-3-5-13(14)8-16(21)23(30)28-20/h3-6,8-12,20H,7H2,1-2H3,(H,28,30)
InChIKeyRTZQCWPMNLFXLT-UHFFFAOYSA-N
XLogP4.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 19,20-difluoro-14-(2-methylpropyl)-1,13,16-triazapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-2,4,6,8,10,15,17,19,21-nonaene-12,23-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19,20-difluoro-14-(2-methylpropyl)-1,13,16-triazapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-2,4,6,8,10,15,17,19,21-nonaene-12,23-dione?
The IUPAC name of 19,20-difluoro-14-(2-methylpropyl)-1,13,16-triazapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-2,4,6,8,10,15,17,19,21-nonaene-12,23-dione (CID 46904486) is 19,20-difluoro-14-(2-methylpropyl)-1,13,16-triazapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-2,4,6,8,10,15,17,19,21-nonaene-12,23-dione.
What is the SMILES notation for 19,20-difluoro-14-(2-methylpropyl)-1,13,16-triazapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-2,4,6,8,10,15,17,19,21-nonaene-12,23-dione?
The canonical SMILES for 19,20-difluoro-14-(2-methylpropyl)-1,13,16-triazapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-2,4,6,8,10,15,17,19,21-nonaene-12,23-dione is CC(C)CC1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(F)c(F)cc1c2=O.
What is the InChIKey of 19,20-difluoro-14-(2-methylpropyl)-1,13,16-triazapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-2,4,6,8,10,15,17,19,21-nonaene-12,23-dione?
The InChIKey is RTZQCWPMNLFXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O2/c1-12(2)7-20-22-27-19-11-18(26)17(25)10-15(19)24(31)29(22)21-9-14-6-4-3-5-13(14)8-16(21)23(30)28-20/h3-6,8-12,20H,7H2,1-2H3,(H,28,30).
What are the key properties of 19,20-difluoro-14-(2-methylpropyl)-1,13,16-triazapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-2,4,6,8,10,15,17,19,21-nonaene-12,23-dione?
19,20-difluoro-14-(2-methylpropyl)-1,13,16-triazapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-2,4,6,8,10,15,17,19,21-nonaene-12,23-dione has a molecular weight of 419.43 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 19,20-difluoro-14-(2-methylpropyl)-1,13,16-triazapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-2,4,6,8,10,15,17,19,21-nonaene-12,23-dione is sourced from PubChem (CID 46904486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).