[5-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone

C24H27FN4O3S — CID 50849054

IUPAC[5-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cnn2ccc(C3CCN(S(=O)(=O)c4cccc(F)c4)CC3)cc12)N1CCCCC1
InChIInChI=1S/C24H27FN4O3S/c25-20-5-4-6-21(16-20)33(31,32)28-12-7-18(8-13-28)19-9-14-29-23(15-19)22(17-26-29)24(30)27-10-2-1-3-11-27/h4-6,9,14-18H,1-3,7-8,10-13H2
InChIKeyLATOGZWVEPTKSD-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.67
Rot. Bonds4

About [5-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone

[5-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone (PubChem CID 50849054) has the molecular formula C24H27FN4O3S and a molecular weight of 470.57 g/mol. Its IUPAC name is [5-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone
PubChem CID50849054
Molecular FormulaC24H27FN4O3S
Molecular Weight470.57 g/mol
Exact Mass470.18
IUPAC Name[5-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cnn2ccc(C3CCN(S(=O)(=O)c4cccc(F)c4)CC3)cc12)N1CCCCC1
InChIInChI=1S/C24H27FN4O3S/c25-20-5-4-6-21(16-20)33(31,32)28-12-7-18(8-13-28)19-9-14-29-23(15-19)22(17-26-29)24(30)27-10-2-1-3-11-27/h4-6,9,14-18H,1-3,7-8,10-13H2
InChIKeyLATOGZWVEPTKSD-UHFFFAOYSA-N
XLogP3.67
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[5-[1-(benzenesulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]methanone
CID 160628943
[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone
CID 50849087
[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 50849086
[5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 50848762
[5-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 50848962
N-[4-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]cyclohexanecarboxamide
CID 139392265
[5-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 50848895
(2-fluorophenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848538
[5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 50848671
[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 50849025
(3-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848910
[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 50848733

Frequently Asked Questions

What is the IUPAC name of [5-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone (CID 50849054) is [5-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone is O=C(c1cnn2ccc(C3CCN(S(=O)(=O)c4cccc(F)c4)CC3)cc12)N1CCCCC1.
What is the InChIKey of [5-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is LATOGZWVEPTKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3S/c25-20-5-4-6-21(16-20)33(31,32)28-12-7-18(8-13-28)19-9-14-29-23(15-19)22(17-26-29)24(30)27-10-2-1-3-11-27/h4-6,9,14-18H,1-3,7-8,10-13H2.
What are the key properties of [5-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone?
[5-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 470.57 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 50849054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).