2-azabicyclo[3.2.2]nona-1(7),3,5-triene;2-[(9-fluoro-3,4,5,6-tetrahydrochrysen-6-yl)methyl]pyridine

C32H29FN2 — CID 174639652

IUPAC2-azabicyclo[3.2.2]nona-1(7),3,5-triene;2-[(9-fluoro-3,4,5,6-tetrahydrochrysen-6-yl)methyl]pyridine
SMILESC1=CC2=CC=C(CC2)N1.Fc1ccc2c(c1)-c1ccc3c(c1CC2Cc1ccccn1)CCC=C3
InChIInChI=1S/C24H20FN.C8H9N/c25-18-9-11-21-17(13-19-6-3-4-12-26-19)14-23-20-7-2-1-5-16(20)8-10-22(23)24(21)15-18;1-3-8-4-2-7(1)5-6-9-8/h1,3-6,8-12,15,17H,2,7,13-14H2;1,3,5-6,9H,2,4H2
InChIKeyYWCWVNAWMJXNQB-UHFFFAOYSA-N
MW460.60 g/mol
LogP7.44
Rot. Bonds2

About 2-azabicyclo[3.2.2]nona-1(7),3,5-triene;2-[(9-fluoro-3,4,5,6-tetrahydrochrysen-6-yl)methyl]pyridine

2-azabicyclo[3.2.2]nona-1(7),3,5-triene;2-[(9-fluoro-3,4,5,6-tetrahydrochrysen-6-yl)methyl]pyridine (PubChem CID 174639652) has the molecular formula C32H29FN2 and a molecular weight of 460.60 g/mol. Its IUPAC name is 2-azabicyclo[3.2.2]nona-1(7),3,5-triene;2-[(9-fluoro-3,4,5,6-tetrahydrochrysen-6-yl)methyl]pyridine.

Molecular Properties

Compound Name2-azabicyclo[3.2.2]nona-1(7),3,5-triene;2-[(9-fluoro-3,4,5,6-tetrahydrochrysen-6-yl)methyl]pyridine
PubChem CID174639652
Molecular FormulaC32H29FN2
Molecular Weight460.60 g/mol
Exact Mass460.23
IUPAC Name2-azabicyclo[3.2.2]nona-1(7),3,5-triene;2-[(9-fluoro-3,4,5,6-tetrahydrochrysen-6-yl)methyl]pyridine
SMILESC1=CC2=CC=C(CC2)N1.Fc1ccc2c(c1)-c1ccc3c(c1CC2Cc1ccccn1)CCC=C3
InChIInChI=1S/C24H20FN.C8H9N/c25-18-9-11-21-17(13-19-6-3-4-12-26-19)14-23-20-7-2-1-5-16(20)8-10-22(23)24(21)15-18;1-3-8-4-2-7(1)5-6-9-8/h1,3-6,8-12,15,17H,2,7,13-14H2;1,3,5-6,9H,2,4H2
InChIKeyYWCWVNAWMJXNQB-UHFFFAOYSA-N
XLogP7.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.60
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-azabicyclo[3.2.2]nona-1(7),3,5-triene;4-(3,4,5,6-tetrahydrochrysen-6-ylmethyl)pyridine
CID 174626361
9-fluoro-6-[2-(4-fluorophenyl)ethyl]-3,4,5,6-tetrahydrochrysene
CID 174639640
2-azabicyclo[3.2.2]nona-1(7),3,5-triene;2-methyl-5-[(Z)-2-(9,10,11,12-tetrahydrochrysen-1-yl)ethenyl]pyridine
CID 174663537
3-methyl-6-[2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethyl]pyridazine
CID 174639624
2-[4-(4-fluorophenyl)-2,6-dimethylphenyl]-4-(pyridin-2-ylmethyl)cyclopentane-1,3-dione
CID 66683915
(2-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)methanamine
CID 165410508
1,4-dimethyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-5-one
CID 110252027
2-(2,4-difluorophenyl)-6-(pyridin-2-ylmethyl)pyridine
CID 158927077
4-(2-pyridin-2-ylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 63090709
8-fluoro-3-methyl-5-(2-pyridin-2-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 142759095
2-[3-[(3,5-dimethoxy-4-methylphenyl)methyl]-6-fluoro-2-methyl-3H-inden-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 145107216
6-fluoro-1,1-dioxo-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43440280

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[3.2.2]nona-1(7),3,5-triene;2-[(9-fluoro-3,4,5,6-tetrahydrochrysen-6-yl)methyl]pyridine?
The IUPAC name of 2-azabicyclo[3.2.2]nona-1(7),3,5-triene;2-[(9-fluoro-3,4,5,6-tetrahydrochrysen-6-yl)methyl]pyridine (CID 174639652) is 2-azabicyclo[3.2.2]nona-1(7),3,5-triene;2-[(9-fluoro-3,4,5,6-tetrahydrochrysen-6-yl)methyl]pyridine.
What is the SMILES notation for 2-azabicyclo[3.2.2]nona-1(7),3,5-triene;2-[(9-fluoro-3,4,5,6-tetrahydrochrysen-6-yl)methyl]pyridine?
The canonical SMILES for 2-azabicyclo[3.2.2]nona-1(7),3,5-triene;2-[(9-fluoro-3,4,5,6-tetrahydrochrysen-6-yl)methyl]pyridine is C1=CC2=CC=C(CC2)N1.Fc1ccc2c(c1)-c1ccc3c(c1CC2Cc1ccccn1)CCC=C3.
What is the InChIKey of 2-azabicyclo[3.2.2]nona-1(7),3,5-triene;2-[(9-fluoro-3,4,5,6-tetrahydrochrysen-6-yl)methyl]pyridine?
The InChIKey is YWCWVNAWMJXNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN.C8H9N/c25-18-9-11-21-17(13-19-6-3-4-12-26-19)14-23-20-7-2-1-5-16(20)8-10-22(23)24(21)15-18;1-3-8-4-2-7(1)5-6-9-8/h1,3-6,8-12,15,17H,2,7,13-14H2;1,3,5-6,9H,2,4H2.
What are the key properties of 2-azabicyclo[3.2.2]nona-1(7),3,5-triene;2-[(9-fluoro-3,4,5,6-tetrahydrochrysen-6-yl)methyl]pyridine?
2-azabicyclo[3.2.2]nona-1(7),3,5-triene;2-[(9-fluoro-3,4,5,6-tetrahydrochrysen-6-yl)methyl]pyridine has a molecular weight of 460.60 g/mol, XLogP of 7.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[3.2.2]nona-1(7),3,5-triene;2-[(9-fluoro-3,4,5,6-tetrahydrochrysen-6-yl)methyl]pyridine is sourced from PubChem (CID 174639652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).