3-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2,10-dimethyl-8,9-dihydropyrido[1,2-a]azepine

C24H23FN2 — CID 118447974

IUPAC3-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2,10-dimethyl-8,9-dihydropyrido[1,2-a]azepine
SMILESCC1=CC2=C(C)CCC=CN2C=C1c1cccnc1-c1ccc(F)c(C)c1
InChIInChI=1S/C24H23FN2/c1-16-7-4-5-12-27-15-21(17(2)14-23(16)27)20-8-6-11-26-24(20)19-9-10-22(25)18(3)13-19/h5-6,8-15H,4,7H2,1-3H3
InChIKeyVACPWMYEJVGMPC-UHFFFAOYSA-N
MW358.46 g/mol
LogP6.38
Rot. Bonds2

About 3-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2,10-dimethyl-8,9-dihydropyrido[1,2-a]azepine

3-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2,10-dimethyl-8,9-dihydropyrido[1,2-a]azepine (PubChem CID 118447974) has the molecular formula C24H23FN2 and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2,10-dimethyl-8,9-dihydropyrido[1,2-a]azepine.

Molecular Properties

Compound Name3-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2,10-dimethyl-8,9-dihydropyrido[1,2-a]azepine
PubChem CID118447974
Molecular FormulaC24H23FN2
Molecular Weight358.46 g/mol
Exact Mass358.18
IUPAC Name3-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2,10-dimethyl-8,9-dihydropyrido[1,2-a]azepine
SMILESCC1=CC2=C(C)CCC=CN2C=C1c1cccnc1-c1ccc(F)c(C)c1
InChIInChI=1S/C24H23FN2/c1-16-7-4-5-12-27-15-21(17(2)14-23(16)27)20-8-6-11-26-24(20)19-9-10-22(25)18(3)13-19/h5-6,8-15H,4,7H2,1-3H3
InChIKeyVACPWMYEJVGMPC-UHFFFAOYSA-N
XLogP6.38
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.46
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2,10-dimethyl-8,9-dihydropyrido[1,2-a]azepine with MolForge

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Related Compounds

6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 118448167
N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine
CID 90095598
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole
CID 90094679
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-8-methylquinazolin-4-amine
CID 118437878
1-N-ethyl-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzene-1,2-diamine
CID 167216812
[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 90094224
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 90095592
7-chloro-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine
CID 90096306
7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine
CID 90094854
4-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]morpholine
CID 90095751
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine
CID 90095042
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine
CID 90095810

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2,10-dimethyl-8,9-dihydropyrido[1,2-a]azepine?
The IUPAC name of 3-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2,10-dimethyl-8,9-dihydropyrido[1,2-a]azepine (CID 118447974) is 3-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2,10-dimethyl-8,9-dihydropyrido[1,2-a]azepine.
What is the SMILES notation for 3-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2,10-dimethyl-8,9-dihydropyrido[1,2-a]azepine?
The canonical SMILES for 3-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2,10-dimethyl-8,9-dihydropyrido[1,2-a]azepine is CC1=CC2=C(C)CCC=CN2C=C1c1cccnc1-c1ccc(F)c(C)c1.
What is the InChIKey of 3-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2,10-dimethyl-8,9-dihydropyrido[1,2-a]azepine?
The InChIKey is VACPWMYEJVGMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2/c1-16-7-4-5-12-27-15-21(17(2)14-23(16)27)20-8-6-11-26-24(20)19-9-10-22(25)18(3)13-19/h5-6,8-15H,4,7H2,1-3H3.
What are the key properties of 3-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2,10-dimethyl-8,9-dihydropyrido[1,2-a]azepine?
3-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2,10-dimethyl-8,9-dihydropyrido[1,2-a]azepine has a molecular weight of 358.46 g/mol, XLogP of 6.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2,10-dimethyl-8,9-dihydropyrido[1,2-a]azepine is sourced from PubChem (CID 118447974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).