N-(3-chloro-4-pyridinyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-pentan-2-yloxybenzamide

C23H25ClFN5O3 — CID 134473885

IUPACN-(3-chloro-4-pyridinyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-pentan-2-yloxybenzamide
SMILESCCCC(C)Oc1cc(-n2nc3n(c2=O)CCCC3)c(F)cc1C(=O)Nc1ccncc1Cl
InChIInChI=1S/C23H25ClFN5O3/c1-3-6-14(2)33-20-12-19(30-23(32)29-10-5-4-7-21(29)28-30)17(25)11-15(20)22(31)27-18-8-9-26-13-16(18)24/h8-9,11-14H,3-7,10H2,1-2H3,(H,26,27,31)
InChIKeySRAMPGFDMWOIKN-UHFFFAOYSA-N
MW473.94 g/mol
LogP4.38
Rot. Bonds7

About N-(3-chloro-4-pyridinyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-pentan-2-yloxybenzamide

N-(3-chloro-4-pyridinyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-pentan-2-yloxybenzamide (PubChem CID 134473885) has the molecular formula C23H25ClFN5O3 and a molecular weight of 473.94 g/mol. Its IUPAC name is N-(3-chloro-4-pyridinyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-pentan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyridinyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-pentan-2-yloxybenzamide
PubChem CID134473885
Molecular FormulaC23H25ClFN5O3
Molecular Weight473.94 g/mol
Exact Mass473.16
IUPAC NameN-(3-chloro-4-pyridinyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-pentan-2-yloxybenzamide
SMILESCCCC(C)Oc1cc(-n2nc3n(c2=O)CCCC3)c(F)cc1C(=O)Nc1ccncc1Cl
InChIInChI=1S/C23H25ClFN5O3/c1-3-6-14(2)33-20-12-19(30-23(32)29-10-5-4-7-21(29)28-30)17(25)11-15(20)22(31)27-18-8-9-26-13-16(18)24/h8-9,11-14H,3-7,10H2,1-2H3,(H,26,27,31)
InChIKeySRAMPGFDMWOIKN-UHFFFAOYSA-N
XLogP4.38
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.94
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-chloro-4-pyridinyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-pentan-2-yloxybenzamide with MolForge

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Related Compounds

N-(5-chloropyrimidin-4-yl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-pentan-2-yloxybenzamide
CID 134473918
N-(2-chloro-6-fluorophenyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-pentan-2-yloxybenzamide
CID 134474277
5-fluoro-N-(2-methoxy-4-methyl-3-pyridinyl)-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-[(2S)-pentan-2-yl]oxybenzamide
CID 142335905
N-(2-chloro-6-fluorophenyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide
CID 134473931
tert-butyl N-[2-[2-[(2-chloro-6-fluorophenyl)carbamoyl]-4-fluoro-5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenoxy]propyl]carbamate
CID 134474181
5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[2-(trifluoromethyl)phenyl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide
CID 134474495
N-(2,6-difluorophenyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide
CID 134473929
2-[(2S)-1-(dimethylamino)propan-2-yl]oxy-5-fluoro-N-(2-methoxy-4-methyl-3-pyridinyl)-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzamide
CID 134474081
N-(2-chloroquinolin-5-yl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 134474322
5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-quinolin-5-yl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide
CID 134474511
N-(2,6-difluorophenyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-[(1S)-1-phenylethoxy]benzamide
CID 142335892
2-[(1S)-1-cyclohexylethoxy]-5-fluoro-N-(2-methoxypyrimidin-5-yl)-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzamide
CID 134474312

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyridinyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-pentan-2-yloxybenzamide?
The IUPAC name of N-(3-chloro-4-pyridinyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-pentan-2-yloxybenzamide (CID 134473885) is N-(3-chloro-4-pyridinyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-pentan-2-yloxybenzamide.
What is the SMILES notation for N-(3-chloro-4-pyridinyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-pentan-2-yloxybenzamide?
The canonical SMILES for N-(3-chloro-4-pyridinyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-pentan-2-yloxybenzamide is CCCC(C)Oc1cc(-n2nc3n(c2=O)CCCC3)c(F)cc1C(=O)Nc1ccncc1Cl.
What is the InChIKey of N-(3-chloro-4-pyridinyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-pentan-2-yloxybenzamide?
The InChIKey is SRAMPGFDMWOIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN5O3/c1-3-6-14(2)33-20-12-19(30-23(32)29-10-5-4-7-21(29)28-30)17(25)11-15(20)22(31)27-18-8-9-26-13-16(18)24/h8-9,11-14H,3-7,10H2,1-2H3,(H,26,27,31).
What are the key properties of N-(3-chloro-4-pyridinyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-pentan-2-yloxybenzamide?
N-(3-chloro-4-pyridinyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-pentan-2-yloxybenzamide has a molecular weight of 473.94 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyridinyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-pentan-2-yloxybenzamide is sourced from PubChem (CID 134473885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).