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

C26H25FN2O6 — CID 142953519

IUPAC11-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
SMILESCC(C)(C)OC(=O)CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2Oc2ccccc2-4)C1
InChIInChI=1S/C26H25FN2O6/c1-26(2,3)35-20(30)10-14-8-9-28(12-14)22-17(27)11-15-21-24(22)34-19-7-5-4-6-18(19)29(21)13-16(23(15)31)25(32)33/h4-7,11,13-14H,8-10,12H2,1-3H3,(H,32,33)
InChIKeyRIMZWRPLDOULFU-UHFFFAOYSA-N
MW480.49 g/mol
LogP4.49
Rot. Bonds4

About 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

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 (PubChem CID 142953519) has the molecular formula C26H25FN2O6 and a molecular weight of 480.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-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
PubChem CID142953519
Molecular FormulaC26H25FN2O6
Molecular Weight480.49 g/mol
Exact Mass480.17
IUPAC Name11-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
SMILESCC(C)(C)OC(=O)CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2Oc2ccccc2-4)C1
InChIInChI=1S/C26H25FN2O6/c1-26(2,3)35-20(30)10-14-8-9-28(12-14)22-17(27)11-15-21-24(22)34-19-7-5-4-6-18(19)29(21)13-16(23(15)31)25(32)33/h4-7,11,13-14H,8-10,12H2,1-3H3,(H,32,33)
InChIKeyRIMZWRPLDOULFU-UHFFFAOYSA-N
XLogP4.49
TPSA98.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
tert-butyl N-[1-[11-fluoro-14-oxo-15-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]-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 58745123
tert-butyl N-[1-[11-fluoro-15-(3-morpholin-4-ylpropylcarbamoyl)-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 58744759
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
10-(3-aminopyrrolidin-1-yl)-11-fluoro-15-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-14-one;2,2,2-trifluoroacetic acid
CID 169431311
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
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
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
tert-butyl N-[1-[15-fluoro-18-oxo-19-[(2-piperidin-1-ylphenyl)methylcarbamoyl]-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-14-yl]pyrrolidin-3-yl]carbamate
CID 58744186
tert-butyl N-[1-[11-fluoro-15-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]-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 58744888

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2Oc2ccccc2-4)C1.
What is the InChIKey of 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?
The InChIKey is RIMZWRPLDOULFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O6/c1-26(2,3)35-20(30)10-14-8-9-28(12-14)22-17(27)11-15-21-24(22)34-19-7-5-4-6-18(19)29(21)13-16(23(15)31)25(32)33/h4-7,11,13-14H,8-10,12H2,1-3H3,(H,32,33).
What are the key properties of 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?
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 has a molecular weight of 480.49 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142953519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).