3-[[2-fluoro-5-[2-methyl-6-[3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine

C27H30FN3O3S — CID 155149020

IUPAC3-[[2-fluoro-5-[2-methyl-6-[3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCc1nc(N2CC(CS(C)(=O)=O)C2)ccc1-c1ccc(F)c(COc2cc3c(cn2)CC(C)C3)c1
InChIInChI=1S/C27H30FN3O3S/c1-17-8-21-11-27(29-12-22(21)9-17)34-15-23-10-20(4-6-25(23)28)24-5-7-26(30-18(24)2)31-13-19(14-31)16-35(3,32)33/h4-7,10-12,17,19H,8-9,13-16H2,1-3H3
InChIKeyHAHWSVXQPOAKEK-UHFFFAOYSA-N
MW495.62 g/mol
LogP4.39
Rot. Bonds7

About 3-[[2-fluoro-5-[2-methyl-6-[3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine

3-[[2-fluoro-5-[2-methyl-6-[3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine (PubChem CID 155149020) has the molecular formula C27H30FN3O3S and a molecular weight of 495.62 g/mol. Its IUPAC name is 3-[[2-fluoro-5-[2-methyl-6-[3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name3-[[2-fluoro-5-[2-methyl-6-[3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
PubChem CID155149020
Molecular FormulaC27H30FN3O3S
Molecular Weight495.62 g/mol
Exact Mass495.20
IUPAC Name3-[[2-fluoro-5-[2-methyl-6-[3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCc1nc(N2CC(CS(C)(=O)=O)C2)ccc1-c1ccc(F)c(COc2cc3c(cn2)CC(C)C3)c1
InChIInChI=1S/C27H30FN3O3S/c1-17-8-21-11-27(29-12-22(21)9-17)34-15-23-10-20(4-6-25(23)28)24-5-7-26(30-18(24)2)31-13-19(14-31)16-35(3,32)33/h4-7,10-12,17,19H,8-9,13-16H2,1-3H3
InChIKeyHAHWSVXQPOAKEK-UHFFFAOYSA-N
XLogP4.39
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoro-5-[2-methyl-6-[3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The IUPAC name of 3-[[2-fluoro-5-[2-methyl-6-[3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine (CID 155149020) is 3-[[2-fluoro-5-[2-methyl-6-[3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine.
What is the SMILES notation for 3-[[2-fluoro-5-[2-methyl-6-[3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The canonical SMILES for 3-[[2-fluoro-5-[2-methyl-6-[3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine is Cc1nc(N2CC(CS(C)(=O)=O)C2)ccc1-c1ccc(F)c(COc2cc3c(cn2)CC(C)C3)c1.
What is the InChIKey of 3-[[2-fluoro-5-[2-methyl-6-[3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The InChIKey is HAHWSVXQPOAKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O3S/c1-17-8-21-11-27(29-12-22(21)9-17)34-15-23-10-20(4-6-25(23)28)24-5-7-26(30-18(24)2)31-13-19(14-31)16-35(3,32)33/h4-7,10-12,17,19H,8-9,13-16H2,1-3H3.
What are the key properties of 3-[[2-fluoro-5-[2-methyl-6-[3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
3-[[2-fluoro-5-[2-methyl-6-[3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine has a molecular weight of 495.62 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-5-[2-methyl-6-[3-(methylsulfonylmethyl)azetidin-1-yl]-3-pyridinyl]phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine is sourced from PubChem (CID 155149020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).