(17E)-10-ethyl-24-fluoro-15-methoxy-5,8-dimethyl-13-propan-2-yl-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaene

C26H32FN7O2 — CID 170617686

IUPAC(17E)-10-ethyl-24-fluoro-15-methoxy-5,8-dimethyl-13-propan-2-yl-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaene
SMILESCCN1Cc2c(c(OC)nn2C(C)C)/C=C/c2n[nH]c3cc(F)c(cc23)-c2cnn(C)c2OC(C)C1
InChIInChI=1S/C26H32FN7O2/c1-7-33-13-16(4)36-26-20(12-28-32(26)5)18-10-19-22(29-30-23(19)11-21(18)27)9-8-17-24(14-33)34(15(2)3)31-25(17)35-6/h8-12,15-16H,7,13-14H2,1-6H3,(H,29,30)/b9-8+
InChIKeyCCZWQUVIVKOVKR-CMDGGOBGSA-N
MW493.59 g/mol
LogP4.66
Rot. Bonds3

About (17E)-10-ethyl-24-fluoro-15-methoxy-5,8-dimethyl-13-propan-2-yl-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaene

(17E)-10-ethyl-24-fluoro-15-methoxy-5,8-dimethyl-13-propan-2-yl-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaene (PubChem CID 170617686) has the molecular formula C26H32FN7O2 and a molecular weight of 493.59 g/mol. Its IUPAC name is (17E)-10-ethyl-24-fluoro-15-methoxy-5,8-dimethyl-13-propan-2-yl-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaene.

Molecular Properties

Compound Name(17E)-10-ethyl-24-fluoro-15-methoxy-5,8-dimethyl-13-propan-2-yl-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaene
PubChem CID170617686
Molecular FormulaC26H32FN7O2
Molecular Weight493.59 g/mol
Exact Mass493.26
IUPAC Name(17E)-10-ethyl-24-fluoro-15-methoxy-5,8-dimethyl-13-propan-2-yl-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaene
SMILESCCN1Cc2c(c(OC)nn2C(C)C)/C=C/c2n[nH]c3cc(F)c(cc23)-c2cnn(C)c2OC(C)C1
InChIInChI=1S/C26H32FN7O2/c1-7-33-13-16(4)36-26-20(12-28-32(26)5)18-10-19-22(29-30-23(19)11-21(18)27)9-8-17-24(14-33)34(15(2)3)31-25(17)35-6/h8-12,15-16H,7,13-14H2,1-6H3,(H,29,30)/b9-8+
InChIKeyCCZWQUVIVKOVKR-CMDGGOBGSA-N
XLogP4.66
TPSA86.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (17E)-10-ethyl-24-fluoro-15-methoxy-5,8-dimethyl-13-propan-2-yl-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaene 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 (17E)-10-ethyl-24-fluoro-15-methoxy-5,8-dimethyl-13-propan-2-yl-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaene?
The IUPAC name of (17E)-10-ethyl-24-fluoro-15-methoxy-5,8-dimethyl-13-propan-2-yl-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaene (CID 170617686) is (17E)-10-ethyl-24-fluoro-15-methoxy-5,8-dimethyl-13-propan-2-yl-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaene.
What is the SMILES notation for (17E)-10-ethyl-24-fluoro-15-methoxy-5,8-dimethyl-13-propan-2-yl-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaene?
The canonical SMILES for (17E)-10-ethyl-24-fluoro-15-methoxy-5,8-dimethyl-13-propan-2-yl-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaene is CCN1Cc2c(c(OC)nn2C(C)C)/C=C/c2n[nH]c3cc(F)c(cc23)-c2cnn(C)c2OC(C)C1.
What is the InChIKey of (17E)-10-ethyl-24-fluoro-15-methoxy-5,8-dimethyl-13-propan-2-yl-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaene?
The InChIKey is CCZWQUVIVKOVKR-CMDGGOBGSA-N. The full InChI is InChI=1S/C26H32FN7O2/c1-7-33-13-16(4)36-26-20(12-28-32(26)5)18-10-19-22(29-30-23(19)11-21(18)27)9-8-17-24(14-33)34(15(2)3)31-25(17)35-6/h8-12,15-16H,7,13-14H2,1-6H3,(H,29,30)/b9-8+.
What are the key properties of (17E)-10-ethyl-24-fluoro-15-methoxy-5,8-dimethyl-13-propan-2-yl-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaene?
(17E)-10-ethyl-24-fluoro-15-methoxy-5,8-dimethyl-13-propan-2-yl-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaene has a molecular weight of 493.59 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (17E)-10-ethyl-24-fluoro-15-methoxy-5,8-dimethyl-13-propan-2-yl-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(24),2(6),3,12(16),14,17,19,22,25-nonaene is sourced from PubChem (CID 170617686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).