3-(2,2-dipyridin-3-ylethyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]pyridine

C21H21FN4 — CID 67265206

IUPAC3-(2,2-dipyridin-3-ylethyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]pyridine
SMILESF[C@H]1CCN(c2ncccc2CC(c2cccnc2)c2cccnc2)C1
InChIInChI=1S/C21H21FN4/c22-19-7-11-26(15-19)21-16(4-3-10-25-21)12-20(17-5-1-8-23-13-17)18-6-2-9-24-14-18/h1-6,8-10,13-14,19-20H,7,11-12,15H2/t19-/m0/s1
InChIKeyIVLROTJRCJDGOG-IBGZPJMESA-N
MW348.43 g/mol
LogP3.79
Rot. Bonds5

About 3-(2,2-dipyridin-3-ylethyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]pyridine

3-(2,2-dipyridin-3-ylethyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]pyridine (PubChem CID 67265206) has the molecular formula C21H21FN4 and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-(2,2-dipyridin-3-ylethyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name3-(2,2-dipyridin-3-ylethyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]pyridine
PubChem CID67265206
Molecular FormulaC21H21FN4
Molecular Weight348.43 g/mol
Exact Mass348.18
IUPAC Name3-(2,2-dipyridin-3-ylethyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]pyridine
SMILESF[C@H]1CCN(c2ncccc2CC(c2cccnc2)c2cccnc2)C1
InChIInChI=1S/C21H21FN4/c22-19-7-11-26(15-19)21-16(4-3-10-25-21)12-20(17-5-1-8-23-13-17)18-6-2-9-24-14-18/h1-6,8-10,13-14,19-20H,7,11-12,15H2/t19-/m0/s1
InChIKeyIVLROTJRCJDGOG-IBGZPJMESA-N
XLogP3.79
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dipyridin-3-ylethyl)-2-[(3R)-3-methoxypyrrolidin-1-yl]pyridine
CID 66830725
3-(chloromethyl)-2-(3-fluoropyrrolidin-1-yl)pyridine
CID 90407888
3-ethyl-2-(4-fluoropiperidin-1-yl)pyridine
CID 90352576
1-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,3,7,7a-tetrahydropyrrolo[2,3-b]pyridine
CID 16662670
5-(4-methylphenyl)-3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-1,2,4-oxadiazole
CID 67264898
3-(2,2-dipyridin-3-ylethyl)-2-(4-methylphenyl)pyridine
CID 66829361
2-(4-chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829368
2-(cyclohexen-1-yl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829358
[2-[4-(difluoromethyl)piperidin-1-yl]-3-pyridinyl]methanamine
CID 175948489
[2-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 61223462
ethyl 2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxylate
CID 123284983
3-(2,2-dipyridin-3-ylethyl)-N-ethyl-N-pyridin-3-ylpyridin-2-amine
CID 16662535

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dipyridin-3-ylethyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]pyridine?
The IUPAC name of 3-(2,2-dipyridin-3-ylethyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]pyridine (CID 67265206) is 3-(2,2-dipyridin-3-ylethyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]pyridine.
What is the SMILES notation for 3-(2,2-dipyridin-3-ylethyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]pyridine?
The canonical SMILES for 3-(2,2-dipyridin-3-ylethyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]pyridine is F[C@H]1CCN(c2ncccc2CC(c2cccnc2)c2cccnc2)C1.
What is the InChIKey of 3-(2,2-dipyridin-3-ylethyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]pyridine?
The InChIKey is IVLROTJRCJDGOG-IBGZPJMESA-N. The full InChI is InChI=1S/C21H21FN4/c22-19-7-11-26(15-19)21-16(4-3-10-25-21)12-20(17-5-1-8-23-13-17)18-6-2-9-24-14-18/h1-6,8-10,13-14,19-20H,7,11-12,15H2/t19-/m0/s1.
What are the key properties of 3-(2,2-dipyridin-3-ylethyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]pyridine?
3-(2,2-dipyridin-3-ylethyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]pyridine has a molecular weight of 348.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dipyridin-3-ylethyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]pyridine is sourced from PubChem (CID 67265206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).