2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

C20H23FN6O — CID 133141907

IUPAC2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESCC1NNC(c2ccc(F)cc2)C1CC(=O)N[C@@H](C)c1nnc2ccccn12
InChIInChI=1S/C20H23FN6O/c1-12-16(19(25-23-12)14-6-8-15(21)9-7-14)11-18(28)22-13(2)20-26-24-17-5-3-4-10-27(17)20/h3-10,12-13,16,19,23,25H,11H2,1-2H3,(H,22,28)/t12?,13-,16?,19?/m0/s1
InChIKeySAEOXOXQRBVCCI-AEKHJZDMSA-N
MW382.44 g/mol
LogP2.29
Rot. Bonds5

About 2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (PubChem CID 133141907) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
PubChem CID133141907
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESCC1NNC(c2ccc(F)cc2)C1CC(=O)N[C@@H](C)c1nnc2ccccn12
InChIInChI=1S/C20H23FN6O/c1-12-16(19(25-23-12)14-6-8-15(21)9-7-14)11-18(28)22-13(2)20-26-24-17-5-3-4-10-27(17)20/h3-10,12-13,16,19,23,25H,11H2,1-2H3,(H,22,28)/t12?,13-,16?,19?/m0/s1
InChIKeySAEOXOXQRBVCCI-AEKHJZDMSA-N
XLogP2.29
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 134081139
2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 133141908
2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
CID 134126708
2-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 43703564
2-piperidin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide;dihydrochloride
CID 119836844
4-hydroxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide
CID 79200415
3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 47013028
2-(4-hydroxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 78820554
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 110895448
2-morpholin-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 66435338
4-oxo-4-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51247765
2,2,2-trifluoro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 62492143

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (CID 133141907) is 2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is CC1NNC(c2ccc(F)cc2)C1CC(=O)N[C@@H](C)c1nnc2ccccn12.
What is the InChIKey of 2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The InChIKey is SAEOXOXQRBVCCI-AEKHJZDMSA-N. The full InChI is InChI=1S/C20H23FN6O/c1-12-16(19(25-23-12)14-6-8-15(21)9-7-14)11-18(28)22-13(2)20-26-24-17-5-3-4-10-27(17)20/h3-10,12-13,16,19,23,25H,11H2,1-2H3,(H,22,28)/t12?,13-,16?,19?/m0/s1.
What are the key properties of 2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide has a molecular weight of 382.44 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 133141907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).