(15S)-7-cyclopropyl-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid

C17H17N3O4 — CID 11844084

IUPAC(15S)-7-cyclopropyl-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2nc3c(cc2c1=O)OC[C@@H]1CCCN31
InChIInChI=1S/C17H17N3O4/c21-14-11-6-13-16(19-5-1-2-10(19)8-24-13)18-15(11)20(9-3-4-9)7-12(14)17(22)23/h6-7,9-10H,1-5,8H2,(H,22,23)/t10-/m0/s1
InChIKeyWYRZRPZFBBNWNA-JTQLQIEISA-N
MW327.34 g/mol
LogP1.79
Rot. Bonds2

About (15S)-7-cyclopropyl-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid

(15S)-7-cyclopropyl-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid (PubChem CID 11844084) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is (15S)-7-cyclopropyl-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid.

Molecular Properties

Compound Name(15S)-7-cyclopropyl-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid
PubChem CID11844084
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name(15S)-7-cyclopropyl-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2nc3c(cc2c1=O)OC[C@@H]1CCCN31
InChIInChI=1S/C17H17N3O4/c21-14-11-6-13-16(19-5-1-2-10(19)8-24-13)18-15(11)20(9-3-4-9)7-12(14)17(22)23/h6-7,9-10H,1-5,8H2,(H,22,23)/t10-/m0/s1
InChIKeyWYRZRPZFBBNWNA-JTQLQIEISA-N
XLogP1.79
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (15S)-7-cyclopropyl-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid with MolForge

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Related Compounds

1-cyclopropyl-6-fluoro-4-oxo-7-pyrrol-1-yl-1,8-naphthyridine-3-carboxylic acid
CID 70462520
1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 13471156
1-cyclopropyl-6-fluoro-5-methyl-7-(2-methylpyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 23364543
8-chloro-1-cyclopropyl-7-fluoro-4-oxobenzo[b][1,8]naphthyridine-3-carboxylic acid
CID 14700556
7-(4-amino-2-azabicyclo[3.2.0]heptan-2-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 139740905
1-cyclopropyl-7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 75106410
1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyrimidin-2-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid
CID 19959049
1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyridin-4-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid
CID 15231291
1-cyclopropyl-6-fluoro-7-[(1S,5S,6S)-6-hydroxy-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 67764507
7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 67742795
7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70383090
13-oxo-9-oxa-2,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,14,17-tetraene-14-carboxylic acid
CID 16660046

Frequently Asked Questions

What is the IUPAC name of (15S)-7-cyclopropyl-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid?
The IUPAC name of (15S)-7-cyclopropyl-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid (CID 11844084) is (15S)-7-cyclopropyl-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid.
What is the SMILES notation for (15S)-7-cyclopropyl-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid?
The canonical SMILES for (15S)-7-cyclopropyl-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid is O=C(O)c1cn(C2CC2)c2nc3c(cc2c1=O)OC[C@@H]1CCCN31.
What is the InChIKey of (15S)-7-cyclopropyl-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid?
The InChIKey is WYRZRPZFBBNWNA-JTQLQIEISA-N. The full InChI is InChI=1S/C17H17N3O4/c21-14-11-6-13-16(19-5-1-2-10(19)8-24-13)18-15(11)20(9-3-4-9)7-12(14)17(22)23/h6-7,9-10H,1-5,8H2,(H,22,23)/t10-/m0/s1.
What are the key properties of (15S)-7-cyclopropyl-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid?
(15S)-7-cyclopropyl-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid has a molecular weight of 327.34 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (15S)-7-cyclopropyl-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid is sourced from PubChem (CID 11844084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).