14-(2-ethyl-5-methylimidazol-1-yl)-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one

C30H25FN4O4 — CID 58744721

IUPAC14-(2-ethyl-5-methylimidazol-1-yl)-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one
SMILESCCc1ncc(C)n1-c1c(F)cc2c(=O)c(C(=O)N3CCOCC3)cn3c2c1Oc1ccc2ccccc2c1-3
InChIInChI=1S/C30H25FN4O4/c1-3-24-32-15-17(2)35(24)27-22(31)14-20-26-29(27)39-23-9-8-18-6-4-5-7-19(18)25(23)34(26)16-21(28(20)36)30(37)33-10-12-38-13-11-33/h4-9,14-16H,3,10-13H2,1-2H3
InChIKeyMUUUHHFCFMTBRY-UHFFFAOYSA-N
MW524.55 g/mol
LogP4.92
Rot. Bonds3

About 14-(2-ethyl-5-methylimidazol-1-yl)-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one

14-(2-ethyl-5-methylimidazol-1-yl)-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one (PubChem CID 58744721) has the molecular formula C30H25FN4O4 and a molecular weight of 524.55 g/mol. Its IUPAC name is 14-(2-ethyl-5-methylimidazol-1-yl)-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one.

Molecular Properties

Compound Name14-(2-ethyl-5-methylimidazol-1-yl)-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one
PubChem CID58744721
Molecular FormulaC30H25FN4O4
Molecular Weight524.55 g/mol
Exact Mass524.19
IUPAC Name14-(2-ethyl-5-methylimidazol-1-yl)-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one
SMILESCCc1ncc(C)n1-c1c(F)cc2c(=O)c(C(=O)N3CCOCC3)cn3c2c1Oc1ccc2ccccc2c1-3
InChIInChI=1S/C30H25FN4O4/c1-3-24-32-15-17(2)35(24)27-22(31)14-20-26-29(27)39-23-9-8-18-6-4-5-7-19(18)25(23)34(26)16-21(28(20)36)30(37)33-10-12-38-13-11-33/h4-9,14-16H,3,10-13H2,1-2H3
InChIKeyMUUUHHFCFMTBRY-UHFFFAOYSA-N
XLogP4.92
TPSA78.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.55
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 14-(2-ethyl-5-methylimidazol-1-yl)-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one with MolForge

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Related Compounds

14-(2-ethyl-5-methylimidazol-1-yl)-15-methyl-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaen-18-one
CID 59693602
14-[2-(ethylamino)ethylamino]-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one
CID 58745044
15-fluoro-19-(morpholine-4-carbonyl)-14-(5-nitrobenzimidazol-1-yl)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one
CID 58744487
14-(4-aminobutylamino)-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one
CID 58744334
15-fluoro-14-[3-(4-methylpiperazin-1-yl)propylamino]-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one
CID 58744473
15-fluoro-14-[4-(2-methoxyphenyl)piperazin-1-yl]-19-(morpholine-4-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 58744507
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
tert-butyl N-[(3R)-1-[15-fluoro-19-(morpholine-4-carbonyl)-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate
CID 58744560
18-fluoro-22-(4-methylpiperazine-1-carbonyl)-17-(2-morpholin-4-ylethylamino)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaen-21-one
CID 58744740
15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-14-(2-pyridin-2-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide
CID 58745260
N-[(3R)-1-[18-fluoro-22-(morpholine-4-carbonyl)-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaen-17-yl]pyrrolidin-3-yl]-3-pyrrolidin-1-ylpropanamide
CID 58744902
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

Frequently Asked Questions

What is the IUPAC name of 14-(2-ethyl-5-methylimidazol-1-yl)-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one?
The IUPAC name of 14-(2-ethyl-5-methylimidazol-1-yl)-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one (CID 58744721) is 14-(2-ethyl-5-methylimidazol-1-yl)-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one.
What is the SMILES notation for 14-(2-ethyl-5-methylimidazol-1-yl)-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one?
The canonical SMILES for 14-(2-ethyl-5-methylimidazol-1-yl)-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one is CCc1ncc(C)n1-c1c(F)cc2c(=O)c(C(=O)N3CCOCC3)cn3c2c1Oc1ccc2ccccc2c1-3.
What is the InChIKey of 14-(2-ethyl-5-methylimidazol-1-yl)-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one?
The InChIKey is MUUUHHFCFMTBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN4O4/c1-3-24-32-15-17(2)35(24)27-22(31)14-20-26-29(27)39-23-9-8-18-6-4-5-7-19(18)25(23)34(26)16-21(28(20)36)30(37)33-10-12-38-13-11-33/h4-9,14-16H,3,10-13H2,1-2H3.
What are the key properties of 14-(2-ethyl-5-methylimidazol-1-yl)-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one?
14-(2-ethyl-5-methylimidazol-1-yl)-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one has a molecular weight of 524.55 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(2-ethyl-5-methylimidazol-1-yl)-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one is sourced from PubChem (CID 58744721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).