10-fluoro-3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-methyl-2,4-diazatricyclo[6.3.2.04,13]trideca-1(12),2,8,10-tetraene

C24H25F2N3 — CID 143407685

IUPAC10-fluoro-3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-methyl-2,4-diazatricyclo[6.3.2.04,13]trideca-1(12),2,8,10-tetraene
SMILESCC1CCC2=CC(F)=CC3=CC2N1C(CN1CC=C(c2ccc(F)cc2)CC1)=N3
InChIInChI=1S/C24H25F2N3/c1-16-2-3-19-12-21(26)13-22-14-23(19)29(16)24(27-22)15-28-10-8-18(9-11-28)17-4-6-20(25)7-5-17/h4-8,12-14,16,23H,2-3,9-11,15H2,1H3
InChIKeyCBOGHHNWBIHLME-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.86
Rot. Bonds3

About 10-fluoro-3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-methyl-2,4-diazatricyclo[6.3.2.04,13]trideca-1(12),2,8,10-tetraene

10-fluoro-3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-methyl-2,4-diazatricyclo[6.3.2.04,13]trideca-1(12),2,8,10-tetraene (PubChem CID 143407685) has the molecular formula C24H25F2N3 and a molecular weight of 393.48 g/mol. Its IUPAC name is 10-fluoro-3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-methyl-2,4-diazatricyclo[6.3.2.04,13]trideca-1(12),2,8,10-tetraene.

Molecular Properties

Compound Name10-fluoro-3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-methyl-2,4-diazatricyclo[6.3.2.04,13]trideca-1(12),2,8,10-tetraene
PubChem CID143407685
Molecular FormulaC24H25F2N3
Molecular Weight393.48 g/mol
Exact Mass393.20
IUPAC Name10-fluoro-3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-methyl-2,4-diazatricyclo[6.3.2.04,13]trideca-1(12),2,8,10-tetraene
SMILESCC1CCC2=CC(F)=CC3=CC2N1C(CN1CC=C(c2ccc(F)cc2)CC1)=N3
InChIInChI=1S/C24H25F2N3/c1-16-2-3-19-12-21(26)13-22-14-23(19)29(16)24(27-22)15-28-10-8-18(9-11-28)17-4-6-20(25)7-5-17/h4-8,12-14,16,23H,2-3,9-11,15H2,1H3
InChIKeyCBOGHHNWBIHLME-UHFFFAOYSA-N
XLogP4.86
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[2-(2,3-Difluorophenyl)ethyl]-6-methyl-4-methylidenepyrido[1,2-a]pyrimidine
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(2Z)-N-methyl-1-(4-methylpiperazin-1-yl)-3-(2-phenylethyl)-4-(trifluoromethyl)penta-2,4-dien-1-imine
CID 89105033
N-[2-(2,4-dimethyl-1,4-dihydropyrimidin-6-yl)ethyl]-3-(3-fluorophenyl)propan-1-amine
CID 118656314
N-[[3-(2,6-dimethylidenepiperidin-3-yl)-2-methyl-4-methylidene-4a,8a-dihydroquinazolin-5-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-1-en-2-amine
CID 129170103
9-Methyl-1,8-dimethylidene-6-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopentyl]methyl]-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine
CID 130451331
N-[(1S)-5-chloro-4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]cyclohexa-2,4-dien-1-yl]-N-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]ethanimidamide
CID 134268102
6-ethyl-7-[2-(3-fluorophenyl)ethenyl]-2-(4-methylpiperazin-1-yl)-N-(2-methyl-4-prop-1-enyl-2,3-dihydropyridin-6-yl)-1,5-dihydro-1,3-diazepin-4-imine
CID 136657326
1-[4-[(2-fluoro-4-methylphenyl)methyl]piperidin-1-yl]-2-methyl-N-[1-methyl-5-(methylideneamino)-3,6-dihydro-2H-pyridin-4-yl]propan-1-imine
CID 138457623
1-[4-[1-(2-fluoro-5-methylphenyl)ethenyl]piperidin-1-yl]-2-methyl-N-(4-methyl-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-5-yl)propan-1-imine
CID 138457625
3-(4,4-difluoropiperidin-1-yl)-1-[(E)-2-(4-fluorophenyl)-1-(4-methylcyclohexa-2,4-dien-1-yl)prop-1-enyl]-2-methylidenepyrazine
CID 139506369

Frequently Asked Questions

What is the IUPAC name of 10-fluoro-3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-methyl-2,4-diazatricyclo[6.3.2.04,13]trideca-1(12),2,8,10-tetraene?
The IUPAC name of 10-fluoro-3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-methyl-2,4-diazatricyclo[6.3.2.04,13]trideca-1(12),2,8,10-tetraene (CID 143407685) is 10-fluoro-3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-methyl-2,4-diazatricyclo[6.3.2.04,13]trideca-1(12),2,8,10-tetraene.
What is the SMILES notation for 10-fluoro-3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-methyl-2,4-diazatricyclo[6.3.2.04,13]trideca-1(12),2,8,10-tetraene?
The canonical SMILES for 10-fluoro-3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-methyl-2,4-diazatricyclo[6.3.2.04,13]trideca-1(12),2,8,10-tetraene is CC1CCC2=CC(F)=CC3=CC2N1C(CN1CC=C(c2ccc(F)cc2)CC1)=N3.
What is the InChIKey of 10-fluoro-3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-methyl-2,4-diazatricyclo[6.3.2.04,13]trideca-1(12),2,8,10-tetraene?
The InChIKey is CBOGHHNWBIHLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3/c1-16-2-3-19-12-21(26)13-22-14-23(19)29(16)24(27-22)15-28-10-8-18(9-11-28)17-4-6-20(25)7-5-17/h4-8,12-14,16,23H,2-3,9-11,15H2,1H3.
What are the key properties of 10-fluoro-3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-methyl-2,4-diazatricyclo[6.3.2.04,13]trideca-1(12),2,8,10-tetraene?
10-fluoro-3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-methyl-2,4-diazatricyclo[6.3.2.04,13]trideca-1(12),2,8,10-tetraene has a molecular weight of 393.48 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-methyl-2,4-diazatricyclo[6.3.2.04,13]trideca-1(12),2,8,10-tetraene is sourced from PubChem (CID 143407685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).