N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-3-fluorobenzamide

C18H17ClFN5O — CID 53203551

IUPACN-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-3-fluorobenzamide
SMILESO=C(NC1CCN(c2nnc3ccc(Cl)cn23)CC1)c1cccc(F)c1
InChIInChI=1S/C18H17ClFN5O/c19-13-4-5-16-22-23-18(25(16)11-13)24-8-6-15(7-9-24)21-17(26)12-2-1-3-14(20)10-12/h1-5,10-11,15H,6-9H2,(H,21,26)
InChIKeyXXTXPJNZFYUYRG-UHFFFAOYSA-N
MW373.82 g/mol
LogP2.92
Rot. Bonds3

About N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-3-fluorobenzamide

N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-3-fluorobenzamide (PubChem CID 53203551) has the molecular formula C18H17ClFN5O and a molecular weight of 373.82 g/mol. Its IUPAC name is N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-3-fluorobenzamide
PubChem CID53203551
Molecular FormulaC18H17ClFN5O
Molecular Weight373.82 g/mol
Exact Mass373.11
IUPAC NameN-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-3-fluorobenzamide
SMILESO=C(NC1CCN(c2nnc3ccc(Cl)cn23)CC1)c1cccc(F)c1
InChIInChI=1S/C18H17ClFN5O/c19-13-4-5-16-22-23-18(25(16)11-13)24-8-6-15(7-9-24)21-17(26)12-2-1-3-14(20)10-12/h1-5,10-11,15H,6-9H2,(H,21,26)
InChIKeyXXTXPJNZFYUYRG-UHFFFAOYSA-N
XLogP2.92
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide
CID 83275374
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 53203103
N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-pyridin-3-ylacetamide
CID 83278475
3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557444
N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide
CID 110823002
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108562648
3-chloro-N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]benzamide
CID 108559879
3-fluoro-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741564
N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide
CID 71561313
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 91938316
N-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide
CID 63625901

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-3-fluorobenzamide?
The IUPAC name of N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-3-fluorobenzamide (CID 53203551) is N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-3-fluorobenzamide?
The canonical SMILES for N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-3-fluorobenzamide is O=C(NC1CCN(c2nnc3ccc(Cl)cn23)CC1)c1cccc(F)c1.
What is the InChIKey of N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-3-fluorobenzamide?
The InChIKey is XXTXPJNZFYUYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN5O/c19-13-4-5-16-22-23-18(25(16)11-13)24-8-6-15(7-9-24)21-17(26)12-2-1-3-14(20)10-12/h1-5,10-11,15H,6-9H2,(H,21,26).
What are the key properties of N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-3-fluorobenzamide?
N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-3-fluorobenzamide has a molecular weight of 373.82 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-3-fluorobenzamide is sourced from PubChem (CID 53203551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).