11-fluoro-2-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-6,14-dioxo-9-azatetracyclo[7.5.1.05,15.010,12]pentadeca-1,3,5(15),7-tetraene-7-carboxylic acid

C23H24FN3O4 — CID 163675857

IUPAC11-fluoro-2-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-6,14-dioxo-9-azatetracyclo[7.5.1.05,15.010,12]pentadeca-1,3,5(15),7-tetraene-7-carboxylic acid
SMILESCNC1([C@@H]2CCN(c3ccc4c(=O)c(C(=O)O)cn5c4c3C(=O)CC3C(F)C35)C2)CC1
InChIInChI=1S/C23H24FN3O4/c1-25-23(5-6-23)11-4-7-26(9-11)15-3-2-12-19-17(15)16(28)8-13-18(24)20(13)27(19)10-14(21(12)29)22(30)31/h2-3,10-11,13,18,20,25H,4-9H2,1H3,(H,30,31)/t11-,13?,18?,20?/m1/s1
InChIKeyJGQJHYWIXBPRDH-POMWDINJSA-N
MW425.46 g/mol
LogP2.37
Rot. Bonds4

About 11-fluoro-2-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-6,14-dioxo-9-azatetracyclo[7.5.1.05,15.010,12]pentadeca-1,3,5(15),7-tetraene-7-carboxylic acid

11-fluoro-2-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-6,14-dioxo-9-azatetracyclo[7.5.1.05,15.010,12]pentadeca-1,3,5(15),7-tetraene-7-carboxylic acid (PubChem CID 163675857) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is 11-fluoro-2-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-6,14-dioxo-9-azatetracyclo[7.5.1.05,15.010,12]pentadeca-1,3,5(15),7-tetraene-7-carboxylic acid.

Molecular Properties

Compound Name11-fluoro-2-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-6,14-dioxo-9-azatetracyclo[7.5.1.05,15.010,12]pentadeca-1,3,5(15),7-tetraene-7-carboxylic acid
PubChem CID163675857
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC Name11-fluoro-2-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-6,14-dioxo-9-azatetracyclo[7.5.1.05,15.010,12]pentadeca-1,3,5(15),7-tetraene-7-carboxylic acid
SMILESCNC1([C@@H]2CCN(c3ccc4c(=O)c(C(=O)O)cn5c4c3C(=O)CC3C(F)C35)C2)CC1
InChIInChI=1S/C23H24FN3O4/c1-25-23(5-6-23)11-4-7-26(9-11)15-3-2-12-19-17(15)16(28)8-13-18(24)20(13)27(19)10-14(21(12)29)22(30)31/h2-3,10-11,13,18,20,25H,4-9H2,1H3,(H,30,31)/t11-,13?,18?,20?/m1/s1
InChIKeyJGQJHYWIXBPRDH-POMWDINJSA-N
XLogP2.37
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 11-fluoro-2-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-6,14-dioxo-9-azatetracyclo[7.5.1.05,15.010,12]pentadeca-1,3,5(15),7-tetraene-7-carboxylic acid with MolForge

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Related Compounds

(2S)-2-methyl-6-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid
CID 58882359
7-[(3R)-3-[1-(ethylamino)cyclopropyl]pyrrolidin-1-yl]-1-[(2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 142141182
5-amino-1-(2-fluorocyclopropyl)-8-methoxy-7-[3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 77257599
6-fluoro-1-[(1R)-2-fluorocyclopropyl]-8-methoxy-7-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 163756332
7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 67271866
5-amino-6,8-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-7-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 69138165
7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-chloro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
CID 58882369
7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
CID 59306531
7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-4-oxoquinoline-3-carboxylic acid
CID 67272284
5-amino-6-fluoro-1-[(1R,2R)-2-fluorocyclopropyl]-8-methyl-7-[3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 69138245
6-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid
CID 67271681
1-cyclopropyl-7-(4-hydroxypiperidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 10497488

Frequently Asked Questions

What is the IUPAC name of 11-fluoro-2-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-6,14-dioxo-9-azatetracyclo[7.5.1.05,15.010,12]pentadeca-1,3,5(15),7-tetraene-7-carboxylic acid?
The IUPAC name of 11-fluoro-2-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-6,14-dioxo-9-azatetracyclo[7.5.1.05,15.010,12]pentadeca-1,3,5(15),7-tetraene-7-carboxylic acid (CID 163675857) is 11-fluoro-2-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-6,14-dioxo-9-azatetracyclo[7.5.1.05,15.010,12]pentadeca-1,3,5(15),7-tetraene-7-carboxylic acid.
What is the SMILES notation for 11-fluoro-2-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-6,14-dioxo-9-azatetracyclo[7.5.1.05,15.010,12]pentadeca-1,3,5(15),7-tetraene-7-carboxylic acid?
The canonical SMILES for 11-fluoro-2-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-6,14-dioxo-9-azatetracyclo[7.5.1.05,15.010,12]pentadeca-1,3,5(15),7-tetraene-7-carboxylic acid is CNC1([C@@H]2CCN(c3ccc4c(=O)c(C(=O)O)cn5c4c3C(=O)CC3C(F)C35)C2)CC1.
What is the InChIKey of 11-fluoro-2-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-6,14-dioxo-9-azatetracyclo[7.5.1.05,15.010,12]pentadeca-1,3,5(15),7-tetraene-7-carboxylic acid?
The InChIKey is JGQJHYWIXBPRDH-POMWDINJSA-N. The full InChI is InChI=1S/C23H24FN3O4/c1-25-23(5-6-23)11-4-7-26(9-11)15-3-2-12-19-17(15)16(28)8-13-18(24)20(13)27(19)10-14(21(12)29)22(30)31/h2-3,10-11,13,18,20,25H,4-9H2,1H3,(H,30,31)/t11-,13?,18?,20?/m1/s1.
What are the key properties of 11-fluoro-2-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-6,14-dioxo-9-azatetracyclo[7.5.1.05,15.010,12]pentadeca-1,3,5(15),7-tetraene-7-carboxylic acid?
11-fluoro-2-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-6,14-dioxo-9-azatetracyclo[7.5.1.05,15.010,12]pentadeca-1,3,5(15),7-tetraene-7-carboxylic acid has a molecular weight of 425.46 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoro-2-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-6,14-dioxo-9-azatetracyclo[7.5.1.05,15.010,12]pentadeca-1,3,5(15),7-tetraene-7-carboxylic acid is sourced from PubChem (CID 163675857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).