(4R,6S,7S,13S)-10-fluoro-13-methyl-2,12,15,19,20,23-hexazahexacyclo[15.5.2.18,12.02,7.04,6.020,24]pentacosa-1(23),8,10,17(24),18,21-hexaene-16,25-dione

C20H19FN6O2 — CID 155379634

IUPAC(4R,6S,7S,13S)-10-fluoro-13-methyl-2,12,15,19,20,23-hexazahexacyclo[15.5.2.18,12.02,7.04,6.020,24]pentacosa-1(23),8,10,17(24),18,21-hexaene-16,25-dione
SMILESC[C@H]1CNC(=O)c2cnn3ccc(nc23)N2C[C@@H]3C[C@@H]3[C@H]2c2cc(F)cn1c2=O
InChIInChI=1S/C20H19FN6O2/c1-10-6-22-19(28)15-7-23-27-3-2-16(24-18(15)27)26-8-11-4-13(11)17(26)14-5-12(21)9-25(10)20(14)29/h2-3,5,7,9-11,13,17H,4,6,8H2,1H3,(H,22,28)/t10-,11-,13-,17-/m0/s1
InChIKeyZPEJZZOZJPSPQI-BTIUKSQHSA-N
MW394.41 g/mol
LogP1.53
Rot. Bonds

About (4R,6S,7S,13S)-10-fluoro-13-methyl-2,12,15,19,20,23-hexazahexacyclo[15.5.2.18,12.02,7.04,6.020,24]pentacosa-1(23),8,10,17(24),18,21-hexaene-16,25-dione

(4R,6S,7S,13S)-10-fluoro-13-methyl-2,12,15,19,20,23-hexazahexacyclo[15.5.2.18,12.02,7.04,6.020,24]pentacosa-1(23),8,10,17(24),18,21-hexaene-16,25-dione (PubChem CID 155379634) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is (4R,6S,7S,13S)-10-fluoro-13-methyl-2,12,15,19,20,23-hexazahexacyclo[15.5.2.18,12.02,7.04,6.020,24]pentacosa-1(23),8,10,17(24),18,21-hexaene-16,25-dione.

Molecular Properties

Compound Name(4R,6S,7S,13S)-10-fluoro-13-methyl-2,12,15,19,20,23-hexazahexacyclo[15.5.2.18,12.02,7.04,6.020,24]pentacosa-1(23),8,10,17(24),18,21-hexaene-16,25-dione
PubChem CID155379634
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name(4R,6S,7S,13S)-10-fluoro-13-methyl-2,12,15,19,20,23-hexazahexacyclo[15.5.2.18,12.02,7.04,6.020,24]pentacosa-1(23),8,10,17(24),18,21-hexaene-16,25-dione
SMILESC[C@H]1CNC(=O)c2cnn3ccc(nc23)N2C[C@@H]3C[C@@H]3[C@H]2c2cc(F)cn1c2=O
InChIInChI=1S/C20H19FN6O2/c1-10-6-22-19(28)15-7-23-27-3-2-16(24-18(15)27)26-8-11-4-13(11)17(26)14-5-12(21)9-25(10)20(14)29/h2-3,5,7,9-11,13,17H,4,6,8H2,1H3,(H,22,28)/t10-,11-,13-,17-/m0/s1
InChIKeyZPEJZZOZJPSPQI-BTIUKSQHSA-N
XLogP1.53
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R,6S,7S,13S)-10-fluoro-13-methyl-2,12,15,19,20,23-hexazahexacyclo[15.5.2.18,12.02,7.04,6.020,24]pentacosa-1(23),8,10,17(24),18,21-hexaene-16,25-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,6S,7S,13S)-10-fluoro-13-methyl-2,12,15,19,20,23-hexazahexacyclo[15.5.2.18,12.02,7.04,6.020,24]pentacosa-1(23),8,10,17(24),18,21-hexaene-16,25-dione?
The IUPAC name of (4R,6S,7S,13S)-10-fluoro-13-methyl-2,12,15,19,20,23-hexazahexacyclo[15.5.2.18,12.02,7.04,6.020,24]pentacosa-1(23),8,10,17(24),18,21-hexaene-16,25-dione (CID 155379634) is (4R,6S,7S,13S)-10-fluoro-13-methyl-2,12,15,19,20,23-hexazahexacyclo[15.5.2.18,12.02,7.04,6.020,24]pentacosa-1(23),8,10,17(24),18,21-hexaene-16,25-dione.
What is the SMILES notation for (4R,6S,7S,13S)-10-fluoro-13-methyl-2,12,15,19,20,23-hexazahexacyclo[15.5.2.18,12.02,7.04,6.020,24]pentacosa-1(23),8,10,17(24),18,21-hexaene-16,25-dione?
The canonical SMILES for (4R,6S,7S,13S)-10-fluoro-13-methyl-2,12,15,19,20,23-hexazahexacyclo[15.5.2.18,12.02,7.04,6.020,24]pentacosa-1(23),8,10,17(24),18,21-hexaene-16,25-dione is C[C@H]1CNC(=O)c2cnn3ccc(nc23)N2C[C@@H]3C[C@@H]3[C@H]2c2cc(F)cn1c2=O.
What is the InChIKey of (4R,6S,7S,13S)-10-fluoro-13-methyl-2,12,15,19,20,23-hexazahexacyclo[15.5.2.18,12.02,7.04,6.020,24]pentacosa-1(23),8,10,17(24),18,21-hexaene-16,25-dione?
The InChIKey is ZPEJZZOZJPSPQI-BTIUKSQHSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-10-6-22-19(28)15-7-23-27-3-2-16(24-18(15)27)26-8-11-4-13(11)17(26)14-5-12(21)9-25(10)20(14)29/h2-3,5,7,9-11,13,17H,4,6,8H2,1H3,(H,22,28)/t10-,11-,13-,17-/m0/s1.
What are the key properties of (4R,6S,7S,13S)-10-fluoro-13-methyl-2,12,15,19,20,23-hexazahexacyclo[15.5.2.18,12.02,7.04,6.020,24]pentacosa-1(23),8,10,17(24),18,21-hexaene-16,25-dione?
(4R,6S,7S,13S)-10-fluoro-13-methyl-2,12,15,19,20,23-hexazahexacyclo[15.5.2.18,12.02,7.04,6.020,24]pentacosa-1(23),8,10,17(24),18,21-hexaene-16,25-dione has a molecular weight of 394.41 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S,7S,13S)-10-fluoro-13-methyl-2,12,15,19,20,23-hexazahexacyclo[15.5.2.18,12.02,7.04,6.020,24]pentacosa-1(23),8,10,17(24),18,21-hexaene-16,25-dione is sourced from PubChem (CID 155379634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).