2-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole

C21H15F3N8O — CID 176928537

IUPAC2-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2nnc(N3CCc4[nH]cnc4[C@H]3c3cc4ccccn4n3)o2)nc1
InChIInChI=1S/C21H15F3N8O/c22-21(23,24)12-4-5-15(25-10-12)19-28-29-20(33-19)31-8-6-14-17(27-11-26-14)18(31)16-9-13-3-1-2-7-32(13)30-16/h1-5,7,9-11,18H,6,8H2,(H,26,27)/t18-/m1/s1
InChIKeyROHZQAHVTSQHQM-GOSISDBHSA-N
MW452.40 g/mol
LogP3.67
Rot. Bonds3

About 2-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole

2-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole (PubChem CID 176928537) has the molecular formula C21H15F3N8O and a molecular weight of 452.40 g/mol. Its IUPAC name is 2-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
PubChem CID176928537
Molecular FormulaC21H15F3N8O
Molecular Weight452.40 g/mol
Exact Mass452.13
IUPAC Name2-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2nnc(N3CCc4[nH]cnc4[C@H]3c3cc4ccccn4n3)o2)nc1
InChIInChI=1S/C21H15F3N8O/c22-21(23,24)12-4-5-15(25-10-12)19-28-29-20(33-19)31-8-6-14-17(27-11-26-14)18(31)16-9-13-3-1-2-7-32(13)30-16/h1-5,7,9-11,18H,6,8H2,(H,26,27)/t18-/m1/s1
InChIKeyROHZQAHVTSQHQM-GOSISDBHSA-N
XLogP3.67
TPSA101.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(difluoromethyl)-5-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 169165311
[fluoro-[5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]phosphane
CID 170394431
2-pyrazin-2-yl-5-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 170333487
2-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 169165222
2-(4-fluorophenyl)-5-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 169165664
2-(4-fluorophenyl)-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 170332884
(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 176928322
(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 169165758
5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carbonitrile
CID 176928573
2-[4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 170333365
2-[4-(7-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 170332754
2-[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyrimidin-2-yl-1,3,4-oxadiazole
CID 170333305

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole (CID 176928537) is 2-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole is FC(F)(F)c1ccc(-c2nnc(N3CCc4[nH]cnc4[C@H]3c3cc4ccccn4n3)o2)nc1.
What is the InChIKey of 2-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is ROHZQAHVTSQHQM-GOSISDBHSA-N. The full InChI is InChI=1S/C21H15F3N8O/c22-21(23,24)12-4-5-15(25-10-12)19-28-29-20(33-19)31-8-6-14-17(27-11-26-14)18(31)16-9-13-3-1-2-7-32(13)30-16/h1-5,7,9-11,18H,6,8H2,(H,26,27)/t18-/m1/s1.
What are the key properties of 2-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole?
2-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 452.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 176928537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).