N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,5-a]pyridine-8-carboxamide;N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-1-one;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-1-one

C87H67F8N13O8 — CID 157483553

IUPACN-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,5-a]pyridine-8-carboxamide;N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-1-one;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-1-one
SMILESO=C(CCc1cc(OCc2ccccc2F)ccc1F)c1ccc2nncn2c1.O=C(CCc1cc(OCc2ccccc2F)ccc1F)c1ccn2cnnc2c1.O=C(NCc1cc(OCc2ccccc2F)ccc1F)c1cccc2nncn12.O=C(NCc1cc(OCc2ccccc2F)ccc1F)c1cccn2cncc12
InChIInChI=1S/3C22H17F2N3O2.C21H16F2N4O2/c23-19-6-2-1-4-15(19)13-29-17-7-8-20(24)16(10-17)11-26-22(28)18-5-3-9-27-14-25-12-21(18)27;23-19-4-2-1-3-17(19)13-29-18-7-8-20(24)15(11-18)5-9-21(28)16-6-10-22-26-25-14-27(22)12-16;23-19-4-2-1-3-17(19)13-29-18-6-7-20(24)15(11-18)5-8-21(28)16-9-10-27-14-25-26-22(27)12-16;22-17-5-2-1-4-14(17)12-29-16-8-9-18(23)15(10-16)11-24-21(28)19-6-3-7-20-26-25-13-27(19)20/h1-10,12,14H,11,13H2,(H,26,28);1-4,6-8,10-12,14H,5,9,13H2;1-4,6-7,9-12,14H,5,8,13H2;1-10,13H,11-12H2,(H,24,28)
InChIKeyBWLBDGPXRQOGCK-UHFFFAOYSA-N
MW1574.56 g/mol
LogP16.44
Rot. Bonds26

About N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,5-a]pyridine-8-carboxamide;N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-1-one;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-1-one

N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,5-a]pyridine-8-carboxamide;N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-1-one;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-1-one (PubChem CID 157483553) has the molecular formula C87H67F8N13O8 and a molecular weight of 1574.56 g/mol. Its IUPAC name is N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,5-a]pyridine-8-carboxamide;N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-1-one;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-1-one.

Molecular Properties

Compound NameN-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,5-a]pyridine-8-carboxamide;N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-1-one;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-1-one
PubChem CID157483553
Molecular FormulaC87H67F8N13O8
Molecular Weight1574.56 g/mol
Exact Mass1573.51
IUPAC NameN-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,5-a]pyridine-8-carboxamide;N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-1-one;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-1-one
SMILESO=C(CCc1cc(OCc2ccccc2F)ccc1F)c1ccc2nncn2c1.O=C(CCc1cc(OCc2ccccc2F)ccc1F)c1ccn2cnnc2c1.O=C(NCc1cc(OCc2ccccc2F)ccc1F)c1cccc2nncn12.O=C(NCc1cc(OCc2ccccc2F)ccc1F)c1cccn2cncc12
InChIInChI=1S/3C22H17F2N3O2.C21H16F2N4O2/c23-19-6-2-1-4-15(19)13-29-17-7-8-20(24)16(10-17)11-26-22(28)18-5-3-9-27-14-25-12-21(18)27;23-19-4-2-1-3-17(19)13-29-18-7-8-20(24)15(11-18)5-9-21(28)16-6-10-22-26-25-14-27(22)12-16;23-19-4-2-1-3-17(19)13-29-18-6-7-20(24)15(11-18)5-8-21(28)16-9-10-27-14-25-26-22(27)12-16;22-17-5-2-1-4-14(17)12-29-16-8-9-18(23)15(10-16)11-24-21(28)19-6-3-7-20-26-25-13-27(19)20/h1-10,12,14H,11,13H2,(H,26,28);1-4,6-8,10-12,14H,5,9,13H2;1-4,6-7,9-12,14H,5,8,13H2;1-10,13H,11-12H2,(H,24,28)
InChIKeyBWLBDGPXRQOGCK-UHFFFAOYSA-N
XLogP16.44
TPSA237.13 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds26
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001574.56
LogP ≤ 516.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,5-a]pyridine-8-carboxamide;N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-1-one;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-1-one with MolForge

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Related Compounds

3-(4-(3-(2-(2-(2-(4-((R)-3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl)-1H-1,2,3-triazol-1-yl)ethoxy)ethoxy)ethoxy)propyl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
CID 156259935
US11440913, Example 334
CID 155074128
US11440913, Example 336
CID 155074358
3-[7-[3-[2-[2-[2-[4-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156259937
7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[[3-(difluoromethoxy)-4-fluorophenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 90990628
4-fluoro-3-[2-[2-[[1-[2-[[4-fluoro-3-methoxy-5-[2-[2-([1,2,4]triazolo[1,5-a]pyridin-6-ylamino)pyrimidin-5-yl]ethyl]benzoyl]amino]ethyl]-2-oxo-4-pyridinyl]amino]pyrimidin-5-yl]ethyl]-5-methoxy-N-methylbenzamide
CID 130206755
6-[3-(2,3-dihydroxypropoxy)phenyl]-N-(4,6-dimethylpyridin-2-yl)-8-[6-[[2,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]carbamoyl]-2-oxo-1H-pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 137159121
N-[[3-[[2-fluoro-4-[8-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methoxy]phenyl]methyl]tetrazolo[1,5-a]pyridine-8-carboxamide
CID 146264075
2-(2,6-Dioxopiperidin-3-yl)-5-[2-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione
CID 146410551
2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione
CID 146411143
3-[5-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 149898446
3-[6-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 151878914

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,5-a]pyridine-8-carboxamide;N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-1-one;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-1-one?
The IUPAC name of N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,5-a]pyridine-8-carboxamide;N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-1-one;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-1-one (CID 157483553) is N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,5-a]pyridine-8-carboxamide;N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-1-one;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-1-one.
What is the SMILES notation for N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,5-a]pyridine-8-carboxamide;N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-1-one;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-1-one?
The canonical SMILES for N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,5-a]pyridine-8-carboxamide;N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-1-one;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-1-one is O=C(CCc1cc(OCc2ccccc2F)ccc1F)c1ccc2nncn2c1.O=C(CCc1cc(OCc2ccccc2F)ccc1F)c1ccn2cnnc2c1.O=C(NCc1cc(OCc2ccccc2F)ccc1F)c1cccc2nncn12.O=C(NCc1cc(OCc2ccccc2F)ccc1F)c1cccn2cncc12.
What is the InChIKey of N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,5-a]pyridine-8-carboxamide;N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-1-one;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-1-one?
The InChIKey is BWLBDGPXRQOGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H17F2N3O2.C21H16F2N4O2/c23-19-6-2-1-4-15(19)13-29-17-7-8-20(24)16(10-17)11-26-22(28)18-5-3-9-27-14-25-12-21(18)27;23-19-4-2-1-3-17(19)13-29-18-7-8-20(24)15(11-18)5-9-21(28)16-6-10-22-26-25-14-27(22)12-16;23-19-4-2-1-3-17(19)13-29-18-6-7-20(24)15(11-18)5-8-21(28)16-9-10-27-14-25-26-22(27)12-16;22-17-5-2-1-4-14(17)12-29-16-8-9-18(23)15(10-16)11-24-21(28)19-6-3-7-20-26-25-13-27(19)20/h1-10,12,14H,11,13H2,(H,26,28);1-4,6-8,10-12,14H,5,9,13H2;1-4,6-7,9-12,14H,5,8,13H2;1-10,13H,11-12H2,(H,24,28).
What are the key properties of N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,5-a]pyridine-8-carboxamide;N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-1-one;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-1-one?
N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,5-a]pyridine-8-carboxamide;N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-1-one;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-1-one has a molecular weight of 1574.56 g/mol, XLogP of 16.44, 26 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,5-a]pyridine-8-carboxamide;N-[[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-1-one;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-1-one is sourced from PubChem (CID 157483553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).