(12R)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide

C21H22FN3O2 — CID 23730529

IUPAC(12R)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
SMILESCc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CC[C@H](c1ccc(F)cc1)O3
InChIInChI=1S/C21H22FN3O2/c1-12-13(2)25-11-17(21(26)24(3)4)16-9-10-18(27-19(16)20(25)23-12)14-5-7-15(22)8-6-14/h5-8,11,18H,9-10H2,1-4H3/t18-/m1/s1
InChIKeyIUXSCGSRIMIJDJ-GOSISDBHSA-N
MW367.42 g/mol
LogP3.86
Rot. Bonds2

About (12R)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide

(12R)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide (PubChem CID 23730529) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is (12R)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide.

Molecular Properties

Compound Name(12R)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
PubChem CID23730529
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name(12R)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
SMILESCc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CC[C@H](c1ccc(F)cc1)O3
InChIInChI=1S/C21H22FN3O2/c1-12-13(2)25-11-17(21(26)24(3)4)16-9-10-18(27-19(16)20(25)23-12)14-5-7-15(22)8-6-14/h5-8,11,18H,9-10H2,1-4H3/t18-/m1/s1
InChIKeyIUXSCGSRIMIJDJ-GOSISDBHSA-N
XLogP3.86
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (12R)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide with MolForge

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Related Compounds

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CID 89816720
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CID 9946403
(9S)-N-Cyclopropyl-8,9-dihydro-2,3-dimethyl-9-phenyl-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide
CID 11210639
(12S)-N,N,4,5-tetramethyl-12-(2-methylphenyl)-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 11245432
(12S)-N,N,4,5-tetramethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 11450928
(12S)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 11485439
7H-8,9-dihydropyrano[2,3c]imidazo[1,2-a]pyridine
CID 13338270

Frequently Asked Questions

What is the IUPAC name of (12R)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide?
The IUPAC name of (12R)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide (CID 23730529) is (12R)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide.
What is the SMILES notation for (12R)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide?
The canonical SMILES for (12R)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide is Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CC[C@H](c1ccc(F)cc1)O3.
What is the InChIKey of (12R)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide?
The InChIKey is IUXSCGSRIMIJDJ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-12-13(2)25-11-17(21(26)24(3)4)16-9-10-18(27-19(16)20(25)23-12)14-5-7-15(22)8-6-14/h5-8,11,18H,9-10H2,1-4H3/t18-/m1/s1.
What are the key properties of (12R)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide?
(12R)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (12R)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide is sourced from PubChem (CID 23730529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).