N-(4-chloro-2-fluorophenyl)-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide

C20H21ClFN5O — CID 78830176

IUPACN-(4-chloro-2-fluorophenyl)-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC(c2nnc3ccccn23)CC1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C20H21ClFN5O/c21-15-4-5-17(16(22)13-15)23-19(28)8-12-26-10-6-14(7-11-26)20-25-24-18-3-1-2-9-27(18)20/h1-5,9,13-14H,6-8,10-12H2,(H,23,28)
InChIKeyHXGYNULKZFMFNR-UHFFFAOYSA-N
MW401.87 g/mol
LogP3.73
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide

N-(4-chloro-2-fluorophenyl)-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide (PubChem CID 78830176) has the molecular formula C20H21ClFN5O and a molecular weight of 401.87 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
PubChem CID78830176
Molecular FormulaC20H21ClFN5O
Molecular Weight401.87 g/mol
Exact Mass401.14
IUPAC NameN-(4-chloro-2-fluorophenyl)-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC(c2nnc3ccccn23)CC1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C20H21ClFN5O/c21-15-4-5-17(16(22)13-15)23-19(28)8-12-26-10-6-14(7-11-26)20-25-24-18-3-1-2-9-27(18)20/h1-5,9,13-14H,6-8,10-12H2,(H,23,28)
InChIKeyHXGYNULKZFMFNR-UHFFFAOYSA-N
XLogP3.73
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.87
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 78818080
1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-methylpiperidine-4-carboxamide
CID 24589415
N-(2,4-difluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
CID 119038879
1-(4-methylphenyl)-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 99712325
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 78818076
N-(4-chloro-2-fluorophenyl)-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 18133462
3-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-fluorophenyl)propanamide
CID 56525283
N-(4-chloro-2-fluorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 24589202
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 86908992
N-(4-chloro-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 30099925
N-(2-ethylphenyl)-2-[[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]acetamide
CID 78818292
N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014572

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide (CID 78830176) is N-(4-chloro-2-fluorophenyl)-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide is O=C(CCN1CCC(c2nnc3ccccn23)CC1)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide?
The InChIKey is HXGYNULKZFMFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN5O/c21-15-4-5-17(16(22)13-15)23-19(28)8-12-26-10-6-14(7-11-26)20-25-24-18-3-1-2-9-27(18)20/h1-5,9,13-14H,6-8,10-12H2,(H,23,28).
What are the key properties of N-(4-chloro-2-fluorophenyl)-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide?
N-(4-chloro-2-fluorophenyl)-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide has a molecular weight of 401.87 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 78830176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).