6-(3-fluorophenyl)-3-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]triazolo[1,5-a]pyridine

C21H19FN6 — CID 131648139

IUPAC6-(3-fluorophenyl)-3-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]triazolo[1,5-a]pyridine
SMILESCc1ccc(N2CCCC2c2nnn3cc(-c4cccc(F)c4)ccc23)nn1
InChIInChI=1S/C21H19FN6/c1-14-7-10-20(24-23-14)27-11-3-6-18(27)21-19-9-8-16(13-28(19)26-25-21)15-4-2-5-17(22)12-15/h2,4-5,7-10,12-13,18H,3,6,11H2,1H3
InChIKeyCZQRBTMUQOZCHD-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.98
Rot. Bonds3

About 6-(3-fluorophenyl)-3-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]triazolo[1,5-a]pyridine

6-(3-fluorophenyl)-3-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]triazolo[1,5-a]pyridine (PubChem CID 131648139) has the molecular formula C21H19FN6 and a molecular weight of 374.42 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-3-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-(3-fluorophenyl)-3-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]triazolo[1,5-a]pyridine
PubChem CID131648139
Molecular FormulaC21H19FN6
Molecular Weight374.42 g/mol
Exact Mass374.17
IUPAC Name6-(3-fluorophenyl)-3-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]triazolo[1,5-a]pyridine
SMILESCc1ccc(N2CCCC2c2nnn3cc(-c4cccc(F)c4)ccc23)nn1
InChIInChI=1S/C21H19FN6/c1-14-7-10-20(24-23-14)27-11-3-6-18(27)21-19-9-8-16(13-28(19)26-25-21)15-4-2-5-17(22)12-15/h2,4-5,7-10,12-13,18H,3,6,11H2,1H3
InChIKeyCZQRBTMUQOZCHD-UHFFFAOYSA-N
XLogP3.98
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[6-(3-fluorophenyl)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 134073507
6-(3-fluorophenyl)-3-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155851702
6-(3-fluorophenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 171697135
[2-[6-(3-fluoroanilino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 131638765
3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 162486125
6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-3-amine
CID 146380890
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-3-amine
CID 146388088
1-(6-methylpyridazin-3-yl)pyrrolidine-2-carboxylic acid
CID 82236002
2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209450
4-[(6-methyl-2-pyridinyl)methyl]-2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholine
CID 131673601
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
CID 58335786
5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine
CID 110266907

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-3-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]triazolo[1,5-a]pyridine?
The IUPAC name of 6-(3-fluorophenyl)-3-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]triazolo[1,5-a]pyridine (CID 131648139) is 6-(3-fluorophenyl)-3-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-(3-fluorophenyl)-3-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-(3-fluorophenyl)-3-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]triazolo[1,5-a]pyridine is Cc1ccc(N2CCCC2c2nnn3cc(-c4cccc(F)c4)ccc23)nn1.
What is the InChIKey of 6-(3-fluorophenyl)-3-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]triazolo[1,5-a]pyridine?
The InChIKey is CZQRBTMUQOZCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6/c1-14-7-10-20(24-23-14)27-11-3-6-18(27)21-19-9-8-16(13-28(19)26-25-21)15-4-2-5-17(22)12-15/h2,4-5,7-10,12-13,18H,3,6,11H2,1H3.
What are the key properties of 6-(3-fluorophenyl)-3-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]triazolo[1,5-a]pyridine?
6-(3-fluorophenyl)-3-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]triazolo[1,5-a]pyridine has a molecular weight of 374.42 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-3-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]triazolo[1,5-a]pyridine is sourced from PubChem (CID 131648139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).