2-[2-(3-fluoroazetidin-1-yl)-5-methyl-3-pyridinyl]-1H-indole

C17H16FN3 — CID 176573759

IUPAC2-[2-(3-fluoroazetidin-1-yl)-5-methyl-3-pyridinyl]-1H-indole
SMILESCc1cnc(N2CC(F)C2)c(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C17H16FN3/c1-11-6-14(17(19-8-11)21-9-13(18)10-21)16-7-12-4-2-3-5-15(12)20-16/h2-8,13,20H,9-10H2,1H3
InChIKeyFVRDGJZPKAVGNG-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.70
Rot. Bonds2

About 2-[2-(3-fluoroazetidin-1-yl)-5-methyl-3-pyridinyl]-1H-indole

2-[2-(3-fluoroazetidin-1-yl)-5-methyl-3-pyridinyl]-1H-indole (PubChem CID 176573759) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[2-(3-fluoroazetidin-1-yl)-5-methyl-3-pyridinyl]-1H-indole.

Molecular Properties

Compound Name2-[2-(3-fluoroazetidin-1-yl)-5-methyl-3-pyridinyl]-1H-indole
PubChem CID176573759
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name2-[2-(3-fluoroazetidin-1-yl)-5-methyl-3-pyridinyl]-1H-indole
SMILESCc1cnc(N2CC(F)C2)c(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C17H16FN3/c1-11-6-14(17(19-8-11)21-9-13(18)10-21)16-7-12-4-2-3-5-15(12)20-16/h2-8,13,20H,9-10H2,1H3
InChIKeyFVRDGJZPKAVGNG-UHFFFAOYSA-N
XLogP3.70
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxy-5-methyl-3-pyridinyl)-1H-indole
CID 90290279
2-(5-methyl-2-pyridinyl)-1H-indole
CID 66770585
2-[5-ethylsulfanyl-2-(2-methylazetidin-1-yl)-3-pyridinyl]-1H-indole
CID 176573922
[6-(3,3-difluoropyrrolidin-1-yl)-5-(1H-indol-2-yl)-3-pyridinyl]-ethyl-imino-oxo-λ6-sulfane
CID 176573472
2-(5-methyl-3-pyridinyl)-1H-indole
CID 147492760
2-(4-fluoro-6-piperidin-1-yl-3-pyridinyl)-1H-indole
CID 172593039
5-(2,4-dimethylphenyl)-4-(3-fluoroazetidin-1-yl)-6-methylpyrimidine
CID 130459243
2-[2-(1H-indol-2-yl)-3-methylphenyl]-1H-indole
CID 68641137
4-(1H-indol-2-yl)-3-methylaniline
CID 141440028
2-(1H-indol-2-yl)-5-methyl-1,3,4-thiadiazole
CID 3921207
4-(1H-indol-2-yl)-2-methyl-6,7-dihydro-5H-quinolin-8-one
CID 151523367
N-[3-(1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfanylmethanamine
CID 168940660

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoroazetidin-1-yl)-5-methyl-3-pyridinyl]-1H-indole?
The IUPAC name of 2-[2-(3-fluoroazetidin-1-yl)-5-methyl-3-pyridinyl]-1H-indole (CID 176573759) is 2-[2-(3-fluoroazetidin-1-yl)-5-methyl-3-pyridinyl]-1H-indole.
What is the SMILES notation for 2-[2-(3-fluoroazetidin-1-yl)-5-methyl-3-pyridinyl]-1H-indole?
The canonical SMILES for 2-[2-(3-fluoroazetidin-1-yl)-5-methyl-3-pyridinyl]-1H-indole is Cc1cnc(N2CC(F)C2)c(-c2cc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[2-(3-fluoroazetidin-1-yl)-5-methyl-3-pyridinyl]-1H-indole?
The InChIKey is FVRDGJZPKAVGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-11-6-14(17(19-8-11)21-9-13(18)10-21)16-7-12-4-2-3-5-15(12)20-16/h2-8,13,20H,9-10H2,1H3.
What are the key properties of 2-[2-(3-fluoroazetidin-1-yl)-5-methyl-3-pyridinyl]-1H-indole?
2-[2-(3-fluoroazetidin-1-yl)-5-methyl-3-pyridinyl]-1H-indole has a molecular weight of 281.33 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoroazetidin-1-yl)-5-methyl-3-pyridinyl]-1H-indole is sourced from PubChem (CID 176573759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).