(14R)-9-fluoro-14-methyl-2,6,11,15,19,20,23-heptazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione

C19H20FN7O2 — CID 142589535

IUPAC(14R)-9-fluoro-14-methyl-2,6,11,15,19,20,23-heptazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione
SMILESC[C@@H]1CCn2cc(F)cc(c2=O)N2CCCN2c2ccn3ncc(c3n2)C(=O)N1
InChIInChI=1S/C19H20FN7O2/c1-12-3-7-24-11-13(20)9-15(19(24)29)26-5-2-6-27(26)16-4-8-25-17(23-16)14(10-21-25)18(28)22-12/h4,8-12H,2-3,5-7H2,1H3,(H,22,28)/t12-/m1/s1
InChIKeyXRYDXVFMZGNATG-GFCCVEGCSA-N
MW397.41 g/mol
LogP1.18
Rot. Bonds

About (14R)-9-fluoro-14-methyl-2,6,11,15,19,20,23-heptazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione

(14R)-9-fluoro-14-methyl-2,6,11,15,19,20,23-heptazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione (PubChem CID 142589535) has the molecular formula C19H20FN7O2 and a molecular weight of 397.41 g/mol. Its IUPAC name is (14R)-9-fluoro-14-methyl-2,6,11,15,19,20,23-heptazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione.

Molecular Properties

Compound Name(14R)-9-fluoro-14-methyl-2,6,11,15,19,20,23-heptazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione
PubChem CID142589535
Molecular FormulaC19H20FN7O2
Molecular Weight397.41 g/mol
Exact Mass397.17
IUPAC Name(14R)-9-fluoro-14-methyl-2,6,11,15,19,20,23-heptazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione
SMILESC[C@@H]1CCn2cc(F)cc(c2=O)N2CCCN2c2ccn3ncc(c3n2)C(=O)N1
InChIInChI=1S/C19H20FN7O2/c1-12-3-7-24-11-13(20)9-15(19(24)29)26-5-2-6-27(26)16-4-8-25-17(23-16)14(10-21-25)18(28)22-12/h4,8-12H,2-3,5-7H2,1H3,(H,22,28)/t12-/m1/s1
InChIKeyXRYDXVFMZGNATG-GFCCVEGCSA-N
XLogP1.18
TPSA87.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (14R)-9-fluoro-14-methyl-2,6,11,15,19,20,23-heptazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (14R)-9-fluoro-14-methyl-2,6,11,15,19,20,23-heptazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione?
The IUPAC name of (14R)-9-fluoro-14-methyl-2,6,11,15,19,20,23-heptazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione (CID 142589535) is (14R)-9-fluoro-14-methyl-2,6,11,15,19,20,23-heptazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione.
What is the SMILES notation for (14R)-9-fluoro-14-methyl-2,6,11,15,19,20,23-heptazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione?
The canonical SMILES for (14R)-9-fluoro-14-methyl-2,6,11,15,19,20,23-heptazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione is C[C@@H]1CCn2cc(F)cc(c2=O)N2CCCN2c2ccn3ncc(c3n2)C(=O)N1.
What is the InChIKey of (14R)-9-fluoro-14-methyl-2,6,11,15,19,20,23-heptazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione?
The InChIKey is XRYDXVFMZGNATG-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20FN7O2/c1-12-3-7-24-11-13(20)9-15(19(24)29)26-5-2-6-27(26)16-4-8-25-17(23-16)14(10-21-25)18(28)22-12/h4,8-12H,2-3,5-7H2,1H3,(H,22,28)/t12-/m1/s1.
What are the key properties of (14R)-9-fluoro-14-methyl-2,6,11,15,19,20,23-heptazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione?
(14R)-9-fluoro-14-methyl-2,6,11,15,19,20,23-heptazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione has a molecular weight of 397.41 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (14R)-9-fluoro-14-methyl-2,6,11,15,19,20,23-heptazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione is sourced from PubChem (CID 142589535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).