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

C21H17FN8O — CID 169165430

IUPAC2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazole
SMILESCc1ncccc1-c1nnc(N2CCc3[nH]cnc3[C@H]2c2cc3c(F)cccn3n2)o1
InChIInChI=1S/C21H17FN8O/c1-12-13(4-2-7-23-12)20-26-27-21(31-20)29-9-6-15-18(25-11-24-15)19(29)16-10-17-14(22)5-3-8-30(17)28-16/h2-5,7-8,10-11,19H,6,9H2,1H3,(H,24,25)/t19-/m1/s1
InChIKeyCWRIVDWLVFLHIG-LJQANCHMSA-N
MW416.42 g/mol
LogP3.10
Rot. Bonds3

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

2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazole (PubChem CID 169165430) has the molecular formula C21H17FN8O and a molecular weight of 416.42 g/mol. Its IUPAC name is 2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazole
PubChem CID169165430
Molecular FormulaC21H17FN8O
Molecular Weight416.42 g/mol
Exact Mass416.15
IUPAC Name2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazole
SMILESCc1ncccc1-c1nnc(N2CCc3[nH]cnc3[C@H]2c2cc3c(F)cccn3n2)o1
InChIInChI=1S/C21H17FN8O/c1-12-13(4-2-7-23-12)20-26-27-21(31-20)29-9-6-15-18(25-11-24-15)19(29)16-10-17-14(22)5-3-8-30(17)28-16/h2-5,7-8,10-11,19H,6,9H2,1H3,(H,24,25)/t19-/m1/s1
InChIKeyCWRIVDWLVFLHIG-LJQANCHMSA-N
XLogP3.10
TPSA101.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-fluoro-3-pyridinyl)-1,3,4-oxadiazole
CID 176928518
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
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-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 176928691
2-(3-fluoro-2-pyridinyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 169165687
[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 169308401
2-(1,1-difluoroethyl)-5-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 169165119
2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(1-methylcyclopropyl)-1,3,4-oxadiazole
CID 169164906
2-[(4R)-4-(7-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 169165766
2-[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole
CID 169165861
2-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 170332873
2-(6-fluoro-2-pyridinyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 169166091

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazole (CID 169165430) is 2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazole is Cc1ncccc1-c1nnc(N2CCc3[nH]cnc3[C@H]2c2cc3c(F)cccn3n2)o1.
What is the InChIKey of 2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is CWRIVDWLVFLHIG-LJQANCHMSA-N. The full InChI is InChI=1S/C21H17FN8O/c1-12-13(4-2-7-23-12)20-26-27-21(31-20)29-9-6-15-18(25-11-24-15)19(29)16-10-17-14(22)5-3-8-30(17)28-16/h2-5,7-8,10-11,19H,6,9H2,1H3,(H,24,25)/t19-/m1/s1.
What are the key properties of 2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazole?
2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 416.42 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 169165430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).