[5-[1-[(2-fluorophenyl)methylsulfanyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone

C26H31FN4OS — CID 174355954

IUPAC[5-[1-[(2-fluorophenyl)methylsulfanyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cnn3ccc(C4CCN(SCc5ccccc5F)CC4)cc23)CC1
InChIInChI=1S/C26H31FN4OS/c1-19-6-11-29(12-7-19)26(32)23-17-28-31-15-10-21(16-25(23)31)20-8-13-30(14-9-20)33-18-22-4-2-3-5-24(22)27/h2-5,10,15-17,19-20H,6-9,11-14,18H2,1H3
InChIKeyWZQJKPSZHPUTTG-UHFFFAOYSA-N
MW466.63 g/mol
LogP5.37
Rot. Bonds5

About [5-[1-[(2-fluorophenyl)methylsulfanyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone

[5-[1-[(2-fluorophenyl)methylsulfanyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 174355954) has the molecular formula C26H31FN4OS and a molecular weight of 466.63 g/mol. Its IUPAC name is [5-[1-[(2-fluorophenyl)methylsulfanyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[1-[(2-fluorophenyl)methylsulfanyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID174355954
Molecular FormulaC26H31FN4OS
Molecular Weight466.63 g/mol
Exact Mass466.22
IUPAC Name[5-[1-[(2-fluorophenyl)methylsulfanyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cnn3ccc(C4CCN(SCc5ccccc5F)CC4)cc23)CC1
InChIInChI=1S/C26H31FN4OS/c1-19-6-11-29(12-7-19)26(32)23-17-28-31-15-10-21(16-25(23)31)20-8-13-30(14-9-20)33-18-22-4-2-3-5-24(22)27/h2-5,10,15-17,19-20H,6-9,11-14,18H2,1H3
InChIKeyWZQJKPSZHPUTTG-UHFFFAOYSA-N
XLogP5.37
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848974
(2-fluorophenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848538
2-(4-fluorophenyl)-1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone
CID 50849005
cyclobutyl-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848877
2-methyl-1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one
CID 50848846
1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one
CID 50848813
(3-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848910
N-(2,6-dimethylphenyl)-4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
CID 50848887
(3-methoxyphenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848779
[5-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 50848895
[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 50849086
[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone
CID 50849087

Frequently Asked Questions

What is the IUPAC name of [5-[1-[(2-fluorophenyl)methylsulfanyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-[1-[(2-fluorophenyl)methylsulfanyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone (CID 174355954) is [5-[1-[(2-fluorophenyl)methylsulfanyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-[1-[(2-fluorophenyl)methylsulfanyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-[1-[(2-fluorophenyl)methylsulfanyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cnn3ccc(C4CCN(SCc5ccccc5F)CC4)cc23)CC1.
What is the InChIKey of [5-[1-[(2-fluorophenyl)methylsulfanyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is WZQJKPSZHPUTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4OS/c1-19-6-11-29(12-7-19)26(32)23-17-28-31-15-10-21(16-25(23)31)20-8-13-30(14-9-20)33-18-22-4-2-3-5-24(22)27/h2-5,10,15-17,19-20H,6-9,11-14,18H2,1H3.
What are the key properties of [5-[1-[(2-fluorophenyl)methylsulfanyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone?
[5-[1-[(2-fluorophenyl)methylsulfanyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 466.63 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[(2-fluorophenyl)methylsulfanyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 174355954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).