N-(8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,17,20(24),21-undecaen-5-yl)-N-(4-fluorophenyl)pyridin-2-amine

C33H19FN2O2 — CID 118027768

IUPACN-(8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,17,20(24),21-undecaen-5-yl)-N-(4-fluorophenyl)pyridin-2-amine
SMILESFc1ccc(N(c2ccc3c(c2)Oc2ccc4c5c(ccc-3c25)Oc2ccccc2-4)c2ccccn2)cc1
InChIInChI=1S/C33H19FN2O2/c34-20-8-10-21(11-9-20)36(31-7-3-4-18-35-31)22-12-13-24-26-15-16-28-32-25(23-5-1-2-6-27(23)37-28)14-17-29(33(26)32)38-30(24)19-22/h1-19H
InChIKeyFGAGVCWOTYMAAL-UHFFFAOYSA-N
MW494.53 g/mol
LogP9.39
Rot. Bonds3

About N-(8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,17,20(24),21-undecaen-5-yl)-N-(4-fluorophenyl)pyridin-2-amine

N-(8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,17,20(24),21-undecaen-5-yl)-N-(4-fluorophenyl)pyridin-2-amine (PubChem CID 118027768) has the molecular formula C33H19FN2O2 and a molecular weight of 494.53 g/mol. Its IUPAC name is N-(8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,17,20(24),21-undecaen-5-yl)-N-(4-fluorophenyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,17,20(24),21-undecaen-5-yl)-N-(4-fluorophenyl)pyridin-2-amine
PubChem CID118027768
Molecular FormulaC33H19FN2O2
Molecular Weight494.53 g/mol
Exact Mass494.14
IUPAC NameN-(8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,17,20(24),21-undecaen-5-yl)-N-(4-fluorophenyl)pyridin-2-amine
SMILESFc1ccc(N(c2ccc3c(c2)Oc2ccc4c5c(ccc-3c25)Oc2ccccc2-4)c2ccccn2)cc1
InChIInChI=1S/C33H19FN2O2/c34-20-8-10-21(11-9-20)36(31-7-3-4-18-35-31)22-12-13-24-26-15-16-28-32-25(23-5-1-2-6-27(23)37-28)14-17-29(33(26)32)38-30(24)19-22/h1-19H
InChIKeyFGAGVCWOTYMAAL-UHFFFAOYSA-N
XLogP9.39
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.53
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,17,20(24),21-undecaen-5-yl)-N-(4-fluorophenyl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,17,20(24),21-undecaen-5-yl)-N-(4-fluorophenyl)pyridin-2-amine?
The IUPAC name of N-(8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,17,20(24),21-undecaen-5-yl)-N-(4-fluorophenyl)pyridin-2-amine (CID 118027768) is N-(8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,17,20(24),21-undecaen-5-yl)-N-(4-fluorophenyl)pyridin-2-amine.
What is the SMILES notation for N-(8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,17,20(24),21-undecaen-5-yl)-N-(4-fluorophenyl)pyridin-2-amine?
The canonical SMILES for N-(8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,17,20(24),21-undecaen-5-yl)-N-(4-fluorophenyl)pyridin-2-amine is Fc1ccc(N(c2ccc3c(c2)Oc2ccc4c5c(ccc-3c25)Oc2ccccc2-4)c2ccccn2)cc1.
What is the InChIKey of N-(8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,17,20(24),21-undecaen-5-yl)-N-(4-fluorophenyl)pyridin-2-amine?
The InChIKey is FGAGVCWOTYMAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19FN2O2/c34-20-8-10-21(11-9-20)36(31-7-3-4-18-35-31)22-12-13-24-26-15-16-28-32-25(23-5-1-2-6-27(23)37-28)14-17-29(33(26)32)38-30(24)19-22/h1-19H.
What are the key properties of N-(8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,17,20(24),21-undecaen-5-yl)-N-(4-fluorophenyl)pyridin-2-amine?
N-(8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,17,20(24),21-undecaen-5-yl)-N-(4-fluorophenyl)pyridin-2-amine has a molecular weight of 494.53 g/mol, XLogP of 9.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,17,20(24),21-undecaen-5-yl)-N-(4-fluorophenyl)pyridin-2-amine is sourced from PubChem (CID 118027768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).