2-(cyclohexylmethoxy)-5-fluoro-N-(5-methoxypyrimidin-4-yl)-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzamide

C25H29FN6O4 — CID 134473977

IUPAC2-(cyclohexylmethoxy)-5-fluoro-N-(5-methoxypyrimidin-4-yl)-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzamide
SMILESCOc1cncnc1NC(=O)c1cc(F)c(-n2nc3n(c2=O)CCCC3)cc1OCC1CCCCC1
InChIInChI=1S/C25H29FN6O4/c1-35-21-13-27-15-28-23(21)29-24(33)17-11-18(26)19(12-20(17)36-14-16-7-3-2-4-8-16)32-25(34)31-10-6-5-9-22(31)30-32/h11-13,15-16H,2-10,14H2,1H3,(H,27,28,29,33)
InChIKeyOHSDSHLJPUBAGJ-UHFFFAOYSA-N
MW496.54 g/mol
LogP3.52
Rot. Bonds7

About 2-(cyclohexylmethoxy)-5-fluoro-N-(5-methoxypyrimidin-4-yl)-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzamide

2-(cyclohexylmethoxy)-5-fluoro-N-(5-methoxypyrimidin-4-yl)-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzamide (PubChem CID 134473977) has the molecular formula C25H29FN6O4 and a molecular weight of 496.54 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-5-fluoro-N-(5-methoxypyrimidin-4-yl)-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-5-fluoro-N-(5-methoxypyrimidin-4-yl)-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzamide
PubChem CID134473977
Molecular FormulaC25H29FN6O4
Molecular Weight496.54 g/mol
Exact Mass496.22
IUPAC Name2-(cyclohexylmethoxy)-5-fluoro-N-(5-methoxypyrimidin-4-yl)-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzamide
SMILESCOc1cncnc1NC(=O)c1cc(F)c(-n2nc3n(c2=O)CCCC3)cc1OCC1CCCCC1
InChIInChI=1S/C25H29FN6O4/c1-35-21-13-27-15-28-23(21)29-24(33)17-11-18(26)19(12-20(17)36-14-16-7-3-2-4-8-16)32-25(34)31-10-6-5-9-22(31)30-32/h11-13,15-16H,2-10,14H2,1H3,(H,27,28,29,33)
InChIKeyOHSDSHLJPUBAGJ-UHFFFAOYSA-N
XLogP3.52
TPSA113.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(cyclohexylmethoxy)-5-fluoro-N-(5-methoxypyrimidin-4-yl)-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzamide 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
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
2-[(1S)-1-cyclohexylethoxy]-N-(1,4-dimethylpyrazol-3-yl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzamide
CID 142335872
2-[(1S)-1-cyclohexylethoxy]-5-fluoro-N-(6-methoxypyridazin-3-yl)-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzamide
CID 134473934
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-(2,2,2-trifluoroethoxy)benzamide
CID 134473932
5-fluoro-N-(5-methyl-1H-imidazol-4-yl)-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 174228177
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
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-(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
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
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

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-5-fluoro-N-(5-methoxypyrimidin-4-yl)-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzamide?
The IUPAC name of 2-(cyclohexylmethoxy)-5-fluoro-N-(5-methoxypyrimidin-4-yl)-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzamide (CID 134473977) is 2-(cyclohexylmethoxy)-5-fluoro-N-(5-methoxypyrimidin-4-yl)-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzamide.
What is the SMILES notation for 2-(cyclohexylmethoxy)-5-fluoro-N-(5-methoxypyrimidin-4-yl)-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzamide?
The canonical SMILES for 2-(cyclohexylmethoxy)-5-fluoro-N-(5-methoxypyrimidin-4-yl)-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzamide is COc1cncnc1NC(=O)c1cc(F)c(-n2nc3n(c2=O)CCCC3)cc1OCC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethoxy)-5-fluoro-N-(5-methoxypyrimidin-4-yl)-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzamide?
The InChIKey is OHSDSHLJPUBAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O4/c1-35-21-13-27-15-28-23(21)29-24(33)17-11-18(26)19(12-20(17)36-14-16-7-3-2-4-8-16)32-25(34)31-10-6-5-9-22(31)30-32/h11-13,15-16H,2-10,14H2,1H3,(H,27,28,29,33).
What are the key properties of 2-(cyclohexylmethoxy)-5-fluoro-N-(5-methoxypyrimidin-4-yl)-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzamide?
2-(cyclohexylmethoxy)-5-fluoro-N-(5-methoxypyrimidin-4-yl)-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzamide has a molecular weight of 496.54 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-5-fluoro-N-(5-methoxypyrimidin-4-yl)-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzamide is sourced from PubChem (CID 134473977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).