13-(4-chloro-2-fluorophenyl)-11-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-2,7,10,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one

C26H24ClFN6O2 — CID 177152246

IUPAC13-(4-chloro-2-fluorophenyl)-11-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-2,7,10,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one
SMILESCc1cc([C@H]2CN(c3nc(-c4ccc(Cl)cc4F)c4nc5n(c(=O)c4n3)CCC5)C[C@@H](C)O2)ccn1
InChIInChI=1S/C26H24ClFN6O2/c1-14-10-16(7-8-29-14)20-13-33(12-15(2)36-20)26-31-22(18-6-5-17(27)11-19(18)28)23-24(32-26)25(35)34-9-3-4-21(34)30-23/h5-8,10-11,15,20H,3-4,9,12-13H2,1-2H3/t15-,20-/m1/s1
InChIKeyREJKKJQNZPNAPW-FOIQADDNSA-N
MW506.97 g/mol
LogP4.26
Rot. Bonds3

About 13-(4-chloro-2-fluorophenyl)-11-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-2,7,10,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one

13-(4-chloro-2-fluorophenyl)-11-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-2,7,10,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one (PubChem CID 177152246) has the molecular formula C26H24ClFN6O2 and a molecular weight of 506.97 g/mol. Its IUPAC name is 13-(4-chloro-2-fluorophenyl)-11-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-2,7,10,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one.

Molecular Properties

Compound Name13-(4-chloro-2-fluorophenyl)-11-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-2,7,10,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one
PubChem CID177152246
Molecular FormulaC26H24ClFN6O2
Molecular Weight506.97 g/mol
Exact Mass506.16
IUPAC Name13-(4-chloro-2-fluorophenyl)-11-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-2,7,10,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one
SMILESCc1cc([C@H]2CN(c3nc(-c4ccc(Cl)cc4F)c4nc5n(c(=O)c4n3)CCC5)C[C@@H](C)O2)ccn1
InChIInChI=1S/C26H24ClFN6O2/c1-14-10-16(7-8-29-14)20-13-33(12-15(2)36-20)26-31-22(18-6-5-17(27)11-19(18)28)23-24(32-26)25(35)34-9-3-4-21(34)30-23/h5-8,10-11,15,20H,3-4,9,12-13H2,1-2H3/t15-,20-/m1/s1
InChIKeyREJKKJQNZPNAPW-FOIQADDNSA-N
XLogP4.26
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.97
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 13-(4-chloro-2-fluorophenyl)-11-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-2,7,10,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one with MolForge

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Related Compounds

8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one
CID 170711597
13-(4-chloro-2-fluorophenyl)-11-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2,7,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,9,11-tetraen-8-one
CID 177151970
13-(2,4-difluorophenyl)-11-[(2R)-2-methyl-6-(2-methyl-4-pyridinyl)oxan-4-yl]-2,7,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,9,11-tetraen-8-one
CID 177151909
11-[2,2-difluoro-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-13-(2,4-difluorophenyl)-2,7,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,9,11-tetraen-8-one
CID 177152292
8-(4-chloro-2-fluorophenyl)-6-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
CID 168887474
(2S,6S)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 157044817
11-[2-[(E)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-6-methylmorpholin-4-yl]-13-(4-chloro-2-fluorophenyl)-2,7,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,9,11-tetraen-8-one
CID 177151779
4-(4-chloro-2-fluorophenyl)-2-[(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-ethylpyrimido[4,5-d]pyridazin-8-one
CID 168887556
(2R,6R)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 157045344
(2R,6S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 157044918
6-[2,2-dimethyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-8-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
CID 170711647
3-fluoro-4-[2-[2-(2-methoxy-4-pyridinyl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]benzonitrile
CID 177322311

Frequently Asked Questions

What is the IUPAC name of 13-(4-chloro-2-fluorophenyl)-11-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-2,7,10,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one?
The IUPAC name of 13-(4-chloro-2-fluorophenyl)-11-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-2,7,10,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one (CID 177152246) is 13-(4-chloro-2-fluorophenyl)-11-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-2,7,10,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one.
What is the SMILES notation for 13-(4-chloro-2-fluorophenyl)-11-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-2,7,10,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one?
The canonical SMILES for 13-(4-chloro-2-fluorophenyl)-11-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-2,7,10,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one is Cc1cc([C@H]2CN(c3nc(-c4ccc(Cl)cc4F)c4nc5n(c(=O)c4n3)CCC5)C[C@@H](C)O2)ccn1.
What is the InChIKey of 13-(4-chloro-2-fluorophenyl)-11-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-2,7,10,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one?
The InChIKey is REJKKJQNZPNAPW-FOIQADDNSA-N. The full InChI is InChI=1S/C26H24ClFN6O2/c1-14-10-16(7-8-29-14)20-13-33(12-15(2)36-20)26-31-22(18-6-5-17(27)11-19(18)28)23-24(32-26)25(35)34-9-3-4-21(34)30-23/h5-8,10-11,15,20H,3-4,9,12-13H2,1-2H3/t15-,20-/m1/s1.
What are the key properties of 13-(4-chloro-2-fluorophenyl)-11-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-2,7,10,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one?
13-(4-chloro-2-fluorophenyl)-11-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-2,7,10,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one has a molecular weight of 506.97 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(4-chloro-2-fluorophenyl)-11-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-2,7,10,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one is sourced from PubChem (CID 177152246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).