7-[bis(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane

C25H24Cl2N2 — CID 143452892

IUPAC7-[bis(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
SMILESCc1ccnc(C2CC3CCC2N3C(c2ccccc2Cl)c2ccccc2Cl)c1
InChIInChI=1S/C25H24Cl2N2/c1-16-12-13-28-23(14-16)20-15-17-10-11-24(20)29(17)25(18-6-2-4-8-21(18)26)19-7-3-5-9-22(19)27/h2-9,12-14,17,20,24-25H,10-11,15H2,1H3
InChIKeyVHNFITGWKAQLLK-UHFFFAOYSA-N
MW423.39 g/mol
LogP6.81
Rot. Bonds4

About 7-[bis(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane

7-[bis(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane (PubChem CID 143452892) has the molecular formula C25H24Cl2N2 and a molecular weight of 423.39 g/mol. Its IUPAC name is 7-[bis(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-[bis(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
PubChem CID143452892
Molecular FormulaC25H24Cl2N2
Molecular Weight423.39 g/mol
Exact Mass422.13
IUPAC Name7-[bis(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
SMILESCc1ccnc(C2CC3CCC2N3C(c2ccccc2Cl)c2ccccc2Cl)c1
InChIInChI=1S/C25H24Cl2N2/c1-16-12-13-28-23(14-16)20-15-17-10-11-24(20)29(17)25(18-6-2-4-8-21(18)26)19-7-3-5-9-22(19)27/h2-9,12-14,17,20,24-25H,10-11,15H2,1H3
InChIKeyVHNFITGWKAQLLK-UHFFFAOYSA-N
XLogP6.81
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.39
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[bis(2-chlorophenyl)methyl]-3-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane
CID 56660325
N-[[7-[bis(2-chlorophenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridin-3-amine
CID 163865509
(1R,2R)-7-methyl-2-pyridin-2-yl-7-azabicyclo[2.2.1]heptane
CID 10397607
4-methyl-2-(2-methylcyclopropyl)pyridine
CID 123838425
8-[bis(2-chlorophenyl)methyl]-3-pyrimidin-4-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 22725100
7-[bis(2-chlorophenyl)methyl]-2-pyrimidin-4-yl-7-azabicyclo[2.2.1]heptan-2-ol
CID 142241678
2-[3,5-bis(4-methyl-2-pyridinyl)cyclohexyl]-4-methylpyridine
CID 25124332
8-[bis(2-chlorophenyl)methyl]-3-(4-piperazin-1-ylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 22725085
trans-(1S,2R)-2-(4-methyl-2-pyridinyl)cyclohexan-1-ol
CID 102018395
[(1R,2R)-2-(4-methyl-2-pyridinyl)cyclopropyl]methanol
CID 146166172
N-[[(1S,5R)-8-[bis(2-chlorophenyl)methyl]-3-(3-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
CID 118718282
8-[(2-chlorophenyl)-(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 71196947

Frequently Asked Questions

What is the IUPAC name of 7-[bis(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-[bis(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane (CID 143452892) is 7-[bis(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-[bis(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-[bis(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane is Cc1ccnc(C2CC3CCC2N3C(c2ccccc2Cl)c2ccccc2Cl)c1.
What is the InChIKey of 7-[bis(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The InChIKey is VHNFITGWKAQLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2/c1-16-12-13-28-23(14-16)20-15-17-10-11-24(20)29(17)25(18-6-2-4-8-21(18)26)19-7-3-5-9-22(19)27/h2-9,12-14,17,20,24-25H,10-11,15H2,1H3.
What are the key properties of 7-[bis(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane?
7-[bis(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane has a molecular weight of 423.39 g/mol, XLogP of 6.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[bis(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 143452892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).