[4-(4-fluorophenyl)piperazin-1-yl]-[4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone

C23H21FN6O — CID 53006414

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1-n1nnc2cccnc21
InChIInChI=1S/C23H21FN6O/c1-16-4-5-17(15-21(16)30-22-20(26-27-30)3-2-10-25-22)23(31)29-13-11-28(12-14-29)19-8-6-18(24)7-9-19/h2-10,15H,11-14H2,1H3
InChIKeyDRJAFZFJAMEPHX-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.23
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-1-yl]-[4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone (PubChem CID 53006414) has the molecular formula C23H21FN6O and a molecular weight of 416.46 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone
PubChem CID53006414
Molecular FormulaC23H21FN6O
Molecular Weight416.46 g/mol
Exact Mass416.18
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1-n1nnc2cccnc21
InChIInChI=1S/C23H21FN6O/c1-16-4-5-17(15-21(16)30-22-20(26-27-30)3-2-10-25-22)23(31)29-13-11-28(12-14-29)19-8-6-18(24)7-9-19/h2-10,15H,11-14H2,1H3
InChIKeyDRJAFZFJAMEPHX-UHFFFAOYSA-N
XLogP3.23
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(4-fluorophenyl)piperazin-1-yl]-[4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone with MolForge

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Related Compounds

(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359
pyrrolidin-1-yl-[3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone
CID 53069710
[4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 46277321
(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 912606
[1-(3-chloro-4-methylphenyl)-5-methyltriazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46857896
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110387944
[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone
CID 109051662
[3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 53148865
[4-(benzotriazol-1-ylmethyl)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 8967221
[2-(azepan-1-yl)-4-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109173653
[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 20906544
[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56551362

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone (CID 53006414) is [4-(4-fluorophenyl)piperazin-1-yl]-[4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone is Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1-n1nnc2cccnc21.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone?
The InChIKey is DRJAFZFJAMEPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O/c1-16-4-5-17(15-21(16)30-22-20(26-27-30)3-2-10-25-22)23(31)29-13-11-28(12-14-29)19-8-6-18(24)7-9-19/h2-10,15H,11-14H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone has a molecular weight of 416.46 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone is sourced from PubChem (CID 53006414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).