(4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-N-(1-methylazetidin-3-yl)-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide

C23H25FN6O6 — CID 67433090

IUPAC(4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-N-(1-methylazetidin-3-yl)-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide
SMILESC[C@@H]1CN2c3c(cc4c(C(=O)NC5CN(C)C5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1
InChIInChI=1S/C23H25FN6O6/c1-9-6-30-16-11(5-23(18(30)10(2)35-9)20(32)26-22(34)27-21(23)33)4-13-15(28-36-17(13)14(16)24)19(31)25-12-7-29(3)8-12/h4,9-10,12,18H,5-8H2,1-3H3,(H,25,31)(H2,26,27,32,33,34)/t9-,10+,18-/m1/s1
InChIKeyMJDXVXCHNLZVGL-AUSHCKSDSA-N
MW500.49 g/mol
LogP-0.10
Rot. Bonds2

About (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-N-(1-methylazetidin-3-yl)-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide

(4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-N-(1-methylazetidin-3-yl)-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide (PubChem CID 67433090) has the molecular formula C23H25FN6O6 and a molecular weight of 500.49 g/mol. Its IUPAC name is (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-N-(1-methylazetidin-3-yl)-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide.

Molecular Properties

Compound Name(4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-N-(1-methylazetidin-3-yl)-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide
PubChem CID67433090
Molecular FormulaC23H25FN6O6
Molecular Weight500.49 g/mol
Exact Mass500.18
IUPAC Name(4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-N-(1-methylazetidin-3-yl)-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide
SMILESC[C@@H]1CN2c3c(cc4c(C(=O)NC5CN(C)C5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1
InChIInChI=1S/C23H25FN6O6/c1-9-6-30-16-11(5-23(18(30)10(2)35-9)20(32)26-22(34)27-21(23)33)4-13-15(28-36-17(13)14(16)24)19(31)25-12-7-29(3)8-12/h4,9-10,12,18H,5-8H2,1-3H3,(H,25,31)(H2,26,27,32,33,34)/t9-,10+,18-/m1/s1
InChIKeyMJDXVXCHNLZVGL-AUSHCKSDSA-N
XLogP-0.10
TPSA146.11 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.49
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-N-(1-methylazetidin-3-yl)-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide 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 (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-N-(1-methylazetidin-3-yl)-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide?
The IUPAC name of (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-N-(1-methylazetidin-3-yl)-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide (CID 67433090) is (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-N-(1-methylazetidin-3-yl)-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide.
What is the SMILES notation for (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-N-(1-methylazetidin-3-yl)-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide?
The canonical SMILES for (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-N-(1-methylazetidin-3-yl)-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide is C[C@@H]1CN2c3c(cc4c(C(=O)NC5CN(C)C5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1.
What is the InChIKey of (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-N-(1-methylazetidin-3-yl)-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide?
The InChIKey is MJDXVXCHNLZVGL-AUSHCKSDSA-N. The full InChI is InChI=1S/C23H25FN6O6/c1-9-6-30-16-11(5-23(18(30)10(2)35-9)20(32)26-22(34)27-21(23)33)4-13-15(28-36-17(13)14(16)24)19(31)25-12-7-29(3)8-12/h4,9-10,12,18H,5-8H2,1-3H3,(H,25,31)(H2,26,27,32,33,34)/t9-,10+,18-/m1/s1.
What are the key properties of (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-N-(1-methylazetidin-3-yl)-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide?
(4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-N-(1-methylazetidin-3-yl)-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide has a molecular weight of 500.49 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-N-(1-methylazetidin-3-yl)-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-carboxamide is sourced from PubChem (CID 67433090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).