5-amino-11-fluoro-10-(4-methylpiperidin-1-yl)-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid

C22H20FN3O4 — CID 134346937

IUPAC5-amino-11-fluoro-10-(4-methylpiperidin-1-yl)-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid
SMILESCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2Oc2cc(N)ccc2-4)CC1
InChIInChI=1S/C22H20FN3O4/c1-11-4-6-25(7-5-11)19-15(23)9-13-18-21(19)30-17-8-12(24)2-3-16(17)26(18)10-14(20(13)27)22(28)29/h2-3,8-11H,4-7,24H2,1H3,(H,28,29)
InChIKeyGPIIRAVBRYBNOQ-UHFFFAOYSA-N
MW409.42 g/mol
LogP3.75
Rot. Bonds2

About 5-amino-11-fluoro-10-(4-methylpiperidin-1-yl)-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid

5-amino-11-fluoro-10-(4-methylpiperidin-1-yl)-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid (PubChem CID 134346937) has the molecular formula C22H20FN3O4 and a molecular weight of 409.42 g/mol. Its IUPAC name is 5-amino-11-fluoro-10-(4-methylpiperidin-1-yl)-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid.

Molecular Properties

Compound Name5-amino-11-fluoro-10-(4-methylpiperidin-1-yl)-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid
PubChem CID134346937
Molecular FormulaC22H20FN3O4
Molecular Weight409.42 g/mol
Exact Mass409.14
IUPAC Name5-amino-11-fluoro-10-(4-methylpiperidin-1-yl)-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid
SMILESCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2Oc2cc(N)ccc2-4)CC1
InChIInChI=1S/C22H20FN3O4/c1-11-4-6-25(7-5-11)19-15(23)9-13-18-21(19)30-17-8-12(24)2-3-16(17)26(18)10-14(20(13)27)22(28)29/h2-3,8-11H,4-7,24H2,1H3,(H,28,29)
InChIKeyGPIIRAVBRYBNOQ-UHFFFAOYSA-N
XLogP3.75
TPSA97.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-11-fluoro-10-(4-methylpiperidin-1-yl)-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-fluoro-10-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidin-1-yl]-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxylic acid
CID 142953519
14-(3-aminopyrrolidin-1-yl)-15-fluoro-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxylic acid
CID 10365443
14-[(3S)-3-aminopyrrolidin-1-yl]-15-fluoro-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxylic acid
CID 10252167
6-[4-(4-amino-2-fluorophenyl)piperazin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CID 67084499
15-(3-aminopyrrolidine-1-carbonyl)-11-fluoro-10-(4-propan-2-ylpiperidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-14-one
CID 58816063
14-(3-aminopyrrolidin-1-yl)-15-fluoro-19-[3-(methylamino)pyrrolidine-1-carbonyl]-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaen-18-one
CID 58744061
1-(5-amino-2,4-difluorophenyl)-7-(3-aminopyrrolidin-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10320807
tert-butyl N-[1-[11-fluoro-14-oxo-15-(piperidine-1-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-10-yl]pyrrolidin-3-yl]carbamate
CID 58744665
10-(4-acetylpiperazin-1-yl)-5-chloro-11-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide
CID 59751690
14-(3-aminopyrrolidin-1-yl)-15-fluoro-N-[(2R)-2-hydroxypropyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide
CID 58745217
tert-butyl N-[1-[15-(4-aminobutylcarbamoyl)-11-fluoro-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-10-yl]pyrrolidin-3-yl]carbamate
CID 58744969
10-(3-aminopiperidin-1-yl)-11-fluoro-15-(morpholine-4-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-14-one
CID 142953531

Frequently Asked Questions

What is the IUPAC name of 5-amino-11-fluoro-10-(4-methylpiperidin-1-yl)-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid?
The IUPAC name of 5-amino-11-fluoro-10-(4-methylpiperidin-1-yl)-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid (CID 134346937) is 5-amino-11-fluoro-10-(4-methylpiperidin-1-yl)-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid.
What is the SMILES notation for 5-amino-11-fluoro-10-(4-methylpiperidin-1-yl)-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid?
The canonical SMILES for 5-amino-11-fluoro-10-(4-methylpiperidin-1-yl)-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid is CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2Oc2cc(N)ccc2-4)CC1.
What is the InChIKey of 5-amino-11-fluoro-10-(4-methylpiperidin-1-yl)-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid?
The InChIKey is GPIIRAVBRYBNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O4/c1-11-4-6-25(7-5-11)19-15(23)9-13-18-21(19)30-17-8-12(24)2-3-16(17)26(18)10-14(20(13)27)22(28)29/h2-3,8-11H,4-7,24H2,1H3,(H,28,29).
What are the key properties of 5-amino-11-fluoro-10-(4-methylpiperidin-1-yl)-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid?
5-amino-11-fluoro-10-(4-methylpiperidin-1-yl)-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid has a molecular weight of 409.42 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-11-fluoro-10-(4-methylpiperidin-1-yl)-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid is sourced from PubChem (CID 134346937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).