6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-pyridin-3-yl-1H-indole

C18H17F2N3 — CID 10805130

IUPAC6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-pyridin-3-yl-1H-indole
SMILESFc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3cccnc3)[nH]c2c1
InChIInChI=1S/C18H17F2N3/c19-12-3-4-13-16(8-12)23-18(11-2-1-6-21-9-11)17(13)14-10-22-7-5-15(14)20/h1-4,6,8-9,14-15,22-23H,5,7,10H2/t14-,15-/m1/s1
InChIKeyCHURMCWBVMVAMK-HUUCEWRRSA-N
MW313.35 g/mol
LogP3.78
Rot. Bonds2

About 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-pyridin-3-yl-1H-indole

6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-pyridin-3-yl-1H-indole (PubChem CID 10805130) has the molecular formula C18H17F2N3 and a molecular weight of 313.35 g/mol. Its IUPAC name is 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-pyridin-3-yl-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-pyridin-3-yl-1H-indole
PubChem CID10805130
Molecular FormulaC18H17F2N3
Molecular Weight313.35 g/mol
Exact Mass313.14
IUPAC Name6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-pyridin-3-yl-1H-indole
SMILESFc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3cccnc3)[nH]c2c1
InChIInChI=1S/C18H17F2N3/c19-12-3-4-13-16(8-12)23-18(11-2-1-6-21-9-11)17(13)14-10-22-7-5-15(14)20/h1-4,6,8-9,14-15,22-23H,5,7,10H2/t14-,15-/m1/s1
InChIKeyCHURMCWBVMVAMK-HUUCEWRRSA-N
XLogP3.78
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Indole
CID 798
Skatole
CID 6736
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CID 1150
N,N-Dimethyltryptamine
CID 6089
3,3'-Diindolylmethane
CID 3071
Gramine
CID 6890
Beta-Carboline
CID 64961
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Tetrahydro-beta-carboline
CID 107838
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-pyridin-3-yl-1H-indole?
The IUPAC name of 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-pyridin-3-yl-1H-indole (CID 10805130) is 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-pyridin-3-yl-1H-indole.
What is the SMILES notation for 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-pyridin-3-yl-1H-indole?
The canonical SMILES for 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-pyridin-3-yl-1H-indole is Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3cccnc3)[nH]c2c1.
What is the InChIKey of 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-pyridin-3-yl-1H-indole?
The InChIKey is CHURMCWBVMVAMK-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H17F2N3/c19-12-3-4-13-16(8-12)23-18(11-2-1-6-21-9-11)17(13)14-10-22-7-5-15(14)20/h1-4,6,8-9,14-15,22-23H,5,7,10H2/t14-,15-/m1/s1.
What are the key properties of 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-pyridin-3-yl-1H-indole?
6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-pyridin-3-yl-1H-indole has a molecular weight of 313.35 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-pyridin-3-yl-1H-indole is sourced from PubChem (CID 10805130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).