6-[(2-fluorophenyl)methylsulfonyl]-3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane

C19H22FN3O2S — CID 175650574

IUPAC6-[(2-fluorophenyl)methylsulfonyl]-3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane
SMILESCc1cccc(CN2CC3CC(C2)N3S(=O)(=O)Cc2ccccc2F)n1
InChIInChI=1S/C19H22FN3O2S/c1-14-5-4-7-16(21-14)10-22-11-17-9-18(12-22)23(17)26(24,25)13-15-6-2-3-8-19(15)20/h2-8,17-18H,9-13H2,1H3
InChIKeySCOXDZNTKORNQR-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.32
Rot. Bonds5

About 6-[(2-fluorophenyl)methylsulfonyl]-3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane

6-[(2-fluorophenyl)methylsulfonyl]-3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 175650574) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methylsulfonyl]-3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methylsulfonyl]-3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane
PubChem CID175650574
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC Name6-[(2-fluorophenyl)methylsulfonyl]-3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane
SMILESCc1cccc(CN2CC3CC(C2)N3S(=O)(=O)Cc2ccccc2F)n1
InChIInChI=1S/C19H22FN3O2S/c1-14-5-4-7-16(21-14)10-22-11-17-9-18(12-22)23(17)26(24,25)13-15-6-2-3-8-19(15)20/h2-8,17-18H,9-13H2,1H3
InChIKeySCOXDZNTKORNQR-UHFFFAOYSA-N
XLogP2.32
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[(2-fluorophenyl)methylsulfonyl]-3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane with MolForge

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Related Compounds

3-methyl-5-[[3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-1,2,4-oxadiazole
CID 172902564
1-(2-fluorophenyl)-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]piperazine
CID 51635907
3-[(6-methyl-2-pyridinyl)methyl]-6-[[4-(trifluoromethoxy)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 175650281
5-[(2-fluorophenyl)methyl]-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45204894
6-(6-cyclobutyl-5-fluoropyrimidin-4-yl)-3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 172902963
(8aR)-2-[(4-fluorophenyl)methyl]-7-[(6-methyl-2-pyridinyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537096
2-[1-[3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-1-oxopropan-2-yl]-6-phenylpyridazin-3-one
CID 175651367
(1S,5R)-6-(cyclobutylmethyl)-3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72941283
2-methyl-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 74234895
1,1-dimethyl-3-[(1S,5R)-3-[(6-methyl-2-pyridinyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]urea
CID 98778828
[2-[[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]methanol
CID 46982833
N-(4-ethoxyphenyl)-3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
CID 172906404

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methylsulfonyl]-3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 6-[(2-fluorophenyl)methylsulfonyl]-3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane (CID 175650574) is 6-[(2-fluorophenyl)methylsulfonyl]-3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-[(2-fluorophenyl)methylsulfonyl]-3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 6-[(2-fluorophenyl)methylsulfonyl]-3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane is Cc1cccc(CN2CC3CC(C2)N3S(=O)(=O)Cc2ccccc2F)n1.
What is the InChIKey of 6-[(2-fluorophenyl)methylsulfonyl]-3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is SCOXDZNTKORNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c1-14-5-4-7-16(21-14)10-22-11-17-9-18(12-22)23(17)26(24,25)13-15-6-2-3-8-19(15)20/h2-8,17-18H,9-13H2,1H3.
What are the key properties of 6-[(2-fluorophenyl)methylsulfonyl]-3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane?
6-[(2-fluorophenyl)methylsulfonyl]-3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 375.47 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methylsulfonyl]-3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 175650574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).