3-fluoro-7,10,17,21,22,25-hexazapentacyclo[16.5.2.12,6.010,14.021,24]hexacosa-1(24),2,4,6(26),18(25),19,22-heptaene

C20H23FN6 — CID 137014425

IUPAC3-fluoro-7,10,17,21,22,25-hexazapentacyclo[16.5.2.12,6.010,14.021,24]hexacosa-1(24),2,4,6(26),18(25),19,22-heptaene
SMILESFc1ccc2cc1-c1cnn3ccc(nc13)NCCC1CCCN1CCN2
InChIInChI=1S/C20H23FN6/c21-18-4-3-14-12-16(18)17-13-24-27-10-6-19(25-20(17)27)23-7-5-15-2-1-9-26(15)11-8-22-14/h3-4,6,10,12-13,15,22H,1-2,5,7-9,11H2,(H,23,25)
InChIKeyPFAUHGVTBUAZFV-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.23
Rot. Bonds

About 3-fluoro-7,10,17,21,22,25-hexazapentacyclo[16.5.2.12,6.010,14.021,24]hexacosa-1(24),2,4,6(26),18(25),19,22-heptaene

3-fluoro-7,10,17,21,22,25-hexazapentacyclo[16.5.2.12,6.010,14.021,24]hexacosa-1(24),2,4,6(26),18(25),19,22-heptaene (PubChem CID 137014425) has the molecular formula C20H23FN6 and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-fluoro-7,10,17,21,22,25-hexazapentacyclo[16.5.2.12,6.010,14.021,24]hexacosa-1(24),2,4,6(26),18(25),19,22-heptaene.

Molecular Properties

Compound Name3-fluoro-7,10,17,21,22,25-hexazapentacyclo[16.5.2.12,6.010,14.021,24]hexacosa-1(24),2,4,6(26),18(25),19,22-heptaene
PubChem CID137014425
Molecular FormulaC20H23FN6
Molecular Weight366.44 g/mol
Exact Mass366.20
IUPAC Name3-fluoro-7,10,17,21,22,25-hexazapentacyclo[16.5.2.12,6.010,14.021,24]hexacosa-1(24),2,4,6(26),18(25),19,22-heptaene
SMILESFc1ccc2cc1-c1cnn3ccc(nc13)NCCC1CCCN1CCN2
InChIInChI=1S/C20H23FN6/c21-18-4-3-14-12-16(18)17-13-24-27-10-6-19(25-20(17)27)23-7-5-15-2-1-9-26(15)11-8-22-14/h3-4,6,10,12-13,15,22H,1-2,5,7-9,11H2,(H,23,25)
InChIKeyPFAUHGVTBUAZFV-UHFFFAOYSA-N
XLogP3.23
TPSA57.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-7,10,17,21,22,25-hexazapentacyclo[16.5.2.12,6.010,14.021,24]hexacosa-1(24),2,4,6(26),18(25),19,22-heptaene 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 3-fluoro-7,10,17,21,22,25-hexazapentacyclo[16.5.2.12,6.010,14.021,24]hexacosa-1(24),2,4,6(26),18(25),19,22-heptaene?
The IUPAC name of 3-fluoro-7,10,17,21,22,25-hexazapentacyclo[16.5.2.12,6.010,14.021,24]hexacosa-1(24),2,4,6(26),18(25),19,22-heptaene (CID 137014425) is 3-fluoro-7,10,17,21,22,25-hexazapentacyclo[16.5.2.12,6.010,14.021,24]hexacosa-1(24),2,4,6(26),18(25),19,22-heptaene.
What is the SMILES notation for 3-fluoro-7,10,17,21,22,25-hexazapentacyclo[16.5.2.12,6.010,14.021,24]hexacosa-1(24),2,4,6(26),18(25),19,22-heptaene?
The canonical SMILES for 3-fluoro-7,10,17,21,22,25-hexazapentacyclo[16.5.2.12,6.010,14.021,24]hexacosa-1(24),2,4,6(26),18(25),19,22-heptaene is Fc1ccc2cc1-c1cnn3ccc(nc13)NCCC1CCCN1CCN2.
What is the InChIKey of 3-fluoro-7,10,17,21,22,25-hexazapentacyclo[16.5.2.12,6.010,14.021,24]hexacosa-1(24),2,4,6(26),18(25),19,22-heptaene?
The InChIKey is PFAUHGVTBUAZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6/c21-18-4-3-14-12-16(18)17-13-24-27-10-6-19(25-20(17)27)23-7-5-15-2-1-9-26(15)11-8-22-14/h3-4,6,10,12-13,15,22H,1-2,5,7-9,11H2,(H,23,25).
What are the key properties of 3-fluoro-7,10,17,21,22,25-hexazapentacyclo[16.5.2.12,6.010,14.021,24]hexacosa-1(24),2,4,6(26),18(25),19,22-heptaene?
3-fluoro-7,10,17,21,22,25-hexazapentacyclo[16.5.2.12,6.010,14.021,24]hexacosa-1(24),2,4,6(26),18(25),19,22-heptaene has a molecular weight of 366.44 g/mol, XLogP of 3.23, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7,10,17,21,22,25-hexazapentacyclo[16.5.2.12,6.010,14.021,24]hexacosa-1(24),2,4,6(26),18(25),19,22-heptaene is sourced from PubChem (CID 137014425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).