2-ethyl-18-fluoro-32-methyl-15-oxa-8,9,10,21-tetrazahexacyclo[19.5.3.216,19.13,7.06,10.024,28]dotriaconta-1(27),3(32),4,6,8,16,18,24(28),25,30-decaen-20-one

C30H31FN4O2 — CID 146670086

IUPAC2-ethyl-18-fluoro-32-methyl-15-oxa-8,9,10,21-tetrazahexacyclo[19.5.3.216,19.13,7.06,10.024,28]dotriaconta-1(27),3(32),4,6,8,16,18,24(28),25,30-decaen-20-one
SMILESCCC1c2ccc3c(c2)CN(CC3)C(=O)c2ccc(cc2F)OCCCCn2nnc3c(C)c1ccc32
InChIInChI=1S/C30H31FN4O2/c1-3-24-21-7-6-20-12-14-34(18-22(20)16-21)30(36)26-9-8-23(17-27(26)31)37-15-5-4-13-35-28-11-10-25(24)19(2)29(28)32-33-35/h6-11,16-17,24H,3-5,12-15,18H2,1-2H3
InChIKeyLEPZUURHHVMANP-UHFFFAOYSA-N
MW498.60 g/mol
LogP5.79
Rot. Bonds1

About 2-ethyl-18-fluoro-32-methyl-15-oxa-8,9,10,21-tetrazahexacyclo[19.5.3.216,19.13,7.06,10.024,28]dotriaconta-1(27),3(32),4,6,8,16,18,24(28),25,30-decaen-20-one

2-ethyl-18-fluoro-32-methyl-15-oxa-8,9,10,21-tetrazahexacyclo[19.5.3.216,19.13,7.06,10.024,28]dotriaconta-1(27),3(32),4,6,8,16,18,24(28),25,30-decaen-20-one (PubChem CID 146670086) has the molecular formula C30H31FN4O2 and a molecular weight of 498.60 g/mol. Its IUPAC name is 2-ethyl-18-fluoro-32-methyl-15-oxa-8,9,10,21-tetrazahexacyclo[19.5.3.216,19.13,7.06,10.024,28]dotriaconta-1(27),3(32),4,6,8,16,18,24(28),25,30-decaen-20-one.

Molecular Properties

Compound Name2-ethyl-18-fluoro-32-methyl-15-oxa-8,9,10,21-tetrazahexacyclo[19.5.3.216,19.13,7.06,10.024,28]dotriaconta-1(27),3(32),4,6,8,16,18,24(28),25,30-decaen-20-one
PubChem CID146670086
Molecular FormulaC30H31FN4O2
Molecular Weight498.60 g/mol
Exact Mass498.24
IUPAC Name2-ethyl-18-fluoro-32-methyl-15-oxa-8,9,10,21-tetrazahexacyclo[19.5.3.216,19.13,7.06,10.024,28]dotriaconta-1(27),3(32),4,6,8,16,18,24(28),25,30-decaen-20-one
SMILESCCC1c2ccc3c(c2)CN(CC3)C(=O)c2ccc(cc2F)OCCCCn2nnc3c(C)c1ccc32
InChIInChI=1S/C30H31FN4O2/c1-3-24-21-7-6-20-12-14-34(18-22(20)16-21)30(36)26-9-8-23(17-27(26)31)37-15-5-4-13-35-28-11-10-25(24)19(2)29(28)32-33-35/h6-11,16-17,24H,3-5,12-15,18H2,1-2H3
InChIKeyLEPZUURHHVMANP-UHFFFAOYSA-N
XLogP5.79
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.60
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-18-fluoro-32-methyl-15-oxa-8,9,10,21-tetrazahexacyclo[19.5.3.216,19.13,7.06,10.024,28]dotriaconta-1(27),3(32),4,6,8,16,18,24(28),25,30-decaen-20-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-18-fluoro-32-methyl-15-oxa-8,9,10,21-tetrazahexacyclo[19.5.3.216,19.13,7.06,10.024,28]dotriaconta-1(27),3(32),4,6,8,16,18,24(28),25,30-decaen-20-one?
The IUPAC name of 2-ethyl-18-fluoro-32-methyl-15-oxa-8,9,10,21-tetrazahexacyclo[19.5.3.216,19.13,7.06,10.024,28]dotriaconta-1(27),3(32),4,6,8,16,18,24(28),25,30-decaen-20-one (CID 146670086) is 2-ethyl-18-fluoro-32-methyl-15-oxa-8,9,10,21-tetrazahexacyclo[19.5.3.216,19.13,7.06,10.024,28]dotriaconta-1(27),3(32),4,6,8,16,18,24(28),25,30-decaen-20-one.
What is the SMILES notation for 2-ethyl-18-fluoro-32-methyl-15-oxa-8,9,10,21-tetrazahexacyclo[19.5.3.216,19.13,7.06,10.024,28]dotriaconta-1(27),3(32),4,6,8,16,18,24(28),25,30-decaen-20-one?
The canonical SMILES for 2-ethyl-18-fluoro-32-methyl-15-oxa-8,9,10,21-tetrazahexacyclo[19.5.3.216,19.13,7.06,10.024,28]dotriaconta-1(27),3(32),4,6,8,16,18,24(28),25,30-decaen-20-one is CCC1c2ccc3c(c2)CN(CC3)C(=O)c2ccc(cc2F)OCCCCn2nnc3c(C)c1ccc32.
What is the InChIKey of 2-ethyl-18-fluoro-32-methyl-15-oxa-8,9,10,21-tetrazahexacyclo[19.5.3.216,19.13,7.06,10.024,28]dotriaconta-1(27),3(32),4,6,8,16,18,24(28),25,30-decaen-20-one?
The InChIKey is LEPZUURHHVMANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O2/c1-3-24-21-7-6-20-12-14-34(18-22(20)16-21)30(36)26-9-8-23(17-27(26)31)37-15-5-4-13-35-28-11-10-25(24)19(2)29(28)32-33-35/h6-11,16-17,24H,3-5,12-15,18H2,1-2H3.
What are the key properties of 2-ethyl-18-fluoro-32-methyl-15-oxa-8,9,10,21-tetrazahexacyclo[19.5.3.216,19.13,7.06,10.024,28]dotriaconta-1(27),3(32),4,6,8,16,18,24(28),25,30-decaen-20-one?
2-ethyl-18-fluoro-32-methyl-15-oxa-8,9,10,21-tetrazahexacyclo[19.5.3.216,19.13,7.06,10.024,28]dotriaconta-1(27),3(32),4,6,8,16,18,24(28),25,30-decaen-20-one has a molecular weight of 498.60 g/mol, XLogP of 5.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-18-fluoro-32-methyl-15-oxa-8,9,10,21-tetrazahexacyclo[19.5.3.216,19.13,7.06,10.024,28]dotriaconta-1(27),3(32),4,6,8,16,18,24(28),25,30-decaen-20-one is sourced from PubChem (CID 146670086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).