(7R)-15-(2-fluoro-6-hydroxyphenyl)-9,14,16-trimethyl-8-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(18),10,12,14,16-pentaene-5-carboxylic acid

C24H23FN4O4 — CID 138678790

IUPAC(7R)-15-(2-fluoro-6-hydroxyphenyl)-9,14,16-trimethyl-8-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(18),10,12,14,16-pentaene-5-carboxylic acid
SMILESCc1cc2c3c(cnc2c(C)c1-c1c(O)cccc1F)N(C)C(=O)[C@H]1CN(C(=O)O)CCN31
InChIInChI=1S/C24H23FN4O4/c1-12-9-14-21(13(2)19(12)20-15(25)5-4-6-18(20)30)26-10-16-22(14)29-8-7-28(24(32)33)11-17(29)23(31)27(16)3/h4-6,9-10,17,30H,7-8,11H2,1-3H3,(H,32,33)/t17-/m1/s1
InChIKeyOCUIKIRNYAHCRS-QGZVFWFLSA-N
MW450.47 g/mol
LogP3.51
Rot. Bonds1

About (7R)-15-(2-fluoro-6-hydroxyphenyl)-9,14,16-trimethyl-8-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(18),10,12,14,16-pentaene-5-carboxylic acid

(7R)-15-(2-fluoro-6-hydroxyphenyl)-9,14,16-trimethyl-8-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(18),10,12,14,16-pentaene-5-carboxylic acid (PubChem CID 138678790) has the molecular formula C24H23FN4O4 and a molecular weight of 450.47 g/mol. Its IUPAC name is (7R)-15-(2-fluoro-6-hydroxyphenyl)-9,14,16-trimethyl-8-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(18),10,12,14,16-pentaene-5-carboxylic acid.

Molecular Properties

Compound Name(7R)-15-(2-fluoro-6-hydroxyphenyl)-9,14,16-trimethyl-8-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(18),10,12,14,16-pentaene-5-carboxylic acid
PubChem CID138678790
Molecular FormulaC24H23FN4O4
Molecular Weight450.47 g/mol
Exact Mass450.17
IUPAC Name(7R)-15-(2-fluoro-6-hydroxyphenyl)-9,14,16-trimethyl-8-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(18),10,12,14,16-pentaene-5-carboxylic acid
SMILESCc1cc2c3c(cnc2c(C)c1-c1c(O)cccc1F)N(C)C(=O)[C@H]1CN(C(=O)O)CCN31
InChIInChI=1S/C24H23FN4O4/c1-12-9-14-21(13(2)19(12)20-15(25)5-4-6-18(20)30)26-10-16-22(14)29-8-7-28(24(32)33)11-17(29)23(31)27(16)3/h4-6,9-10,17,30H,7-8,11H2,1-3H3,(H,32,33)/t17-/m1/s1
InChIKeyOCUIKIRNYAHCRS-QGZVFWFLSA-N
XLogP3.51
TPSA97.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (7R)-15-(2-fluoro-6-hydroxyphenyl)-9,14,16-trimethyl-8-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(18),10,12,14,16-pentaene-5-carboxylic acid with MolForge

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Related Compounds

tert-butyl (7R)-15-(2-fluoro-6-hydroxyphenyl)-9,14,16-trimethyl-8-oxo-2,5,9,12,17-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(18),10,12,14,16-pentaene-5-carboxylate
CID 138721050
(7R)-16-chloro-14-fluoro-15-(2-fluoro-6-hydroxyphenyl)-9-methyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-8-one
CID 138678771
(4R,7R)-16-chloro-14-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4,9-dimethyl-5-(2-methylprop-2-enoyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-8-one
CID 166148648
tert-butyl (7R)-15-bromo-14-chloro-16-fluoro-9-methyl-8-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaene-5-carboxylate
CID 138720971
(7R)-16-chloro-14-fluoro-15-(2-fluoro-6-hydroxyphenyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-8-one
CID 138678913
(7R)-16-chloro-12-cyclopropyl-15-(2-fluoro-6-hydroxyphenyl)-9-methyl-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione
CID 167409965
tert-butyl (4R,7R)-16-chloro-14-fluoro-15-[2-fluoro-6-(7-oxoheptoxy)phenyl]-4,9-dimethyl-8-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaene-5-carboxylate
CID 166564759
4-[8-chloro-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-methyl-1-oxo-3,4-dihydrobenzo[b][1,6]naphthyridin-10-yl]piperazine-1-carboxylic acid
CID 137147977
2-[(7R)-16-chloro-14-methyl-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-15-yl]-3-fluorophenol
CID 138678833
4-[1-[2-(difluoromethyl)-4-methyl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylic acid
CID 175118356
(7R)-16-chloro-12-(1,4-dimethyl-6-oxo-2-propan-2-yl-3-pyridinyl)-15-(2-fluoro-6-hydroxyphenyl)-5-prop-2-enoyl-9-(trideuteriomethyl)-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione
CID 167409755
(3S)-4-[1-[4-(aminomethyl)-2,6-dimethylphenyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylic acid
CID 170338599

Frequently Asked Questions

What is the IUPAC name of (7R)-15-(2-fluoro-6-hydroxyphenyl)-9,14,16-trimethyl-8-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(18),10,12,14,16-pentaene-5-carboxylic acid?
The IUPAC name of (7R)-15-(2-fluoro-6-hydroxyphenyl)-9,14,16-trimethyl-8-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(18),10,12,14,16-pentaene-5-carboxylic acid (CID 138678790) is (7R)-15-(2-fluoro-6-hydroxyphenyl)-9,14,16-trimethyl-8-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(18),10,12,14,16-pentaene-5-carboxylic acid.
What is the SMILES notation for (7R)-15-(2-fluoro-6-hydroxyphenyl)-9,14,16-trimethyl-8-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(18),10,12,14,16-pentaene-5-carboxylic acid?
The canonical SMILES for (7R)-15-(2-fluoro-6-hydroxyphenyl)-9,14,16-trimethyl-8-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(18),10,12,14,16-pentaene-5-carboxylic acid is Cc1cc2c3c(cnc2c(C)c1-c1c(O)cccc1F)N(C)C(=O)[C@H]1CN(C(=O)O)CCN31.
What is the InChIKey of (7R)-15-(2-fluoro-6-hydroxyphenyl)-9,14,16-trimethyl-8-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(18),10,12,14,16-pentaene-5-carboxylic acid?
The InChIKey is OCUIKIRNYAHCRS-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H23FN4O4/c1-12-9-14-21(13(2)19(12)20-15(25)5-4-6-18(20)30)26-10-16-22(14)29-8-7-28(24(32)33)11-17(29)23(31)27(16)3/h4-6,9-10,17,30H,7-8,11H2,1-3H3,(H,32,33)/t17-/m1/s1.
What are the key properties of (7R)-15-(2-fluoro-6-hydroxyphenyl)-9,14,16-trimethyl-8-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(18),10,12,14,16-pentaene-5-carboxylic acid?
(7R)-15-(2-fluoro-6-hydroxyphenyl)-9,14,16-trimethyl-8-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(18),10,12,14,16-pentaene-5-carboxylic acid has a molecular weight of 450.47 g/mol, XLogP of 3.51, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-15-(2-fluoro-6-hydroxyphenyl)-9,14,16-trimethyl-8-oxo-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(18),10,12,14,16-pentaene-5-carboxylic acid is sourced from PubChem (CID 138678790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).