2-[(4S)-4-(4-propan-2-ylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole

C22H21N9O — CID 169165231

IUPAC2-[(4S)-4-(4-propan-2-ylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1cccn2nc([C@@H]3c4nc[nH]c4CCN3c3nnc(-c4cnccn4)o3)cc12
InChIInChI=1S/C22H21N9O/c1-13(2)14-4-3-8-31-18(14)10-16(29-31)20-19-15(25-12-26-19)5-9-30(20)22-28-27-21(32-22)17-11-23-6-7-24-17/h3-4,6-8,10-13,20H,5,9H2,1-2H3,(H,25,26)/t20-/m1/s1
InChIKeyWGCBAZSSKQYOOM-HXUWFJFHSA-N
MW427.47 g/mol
LogP3.17
Rot. Bonds4

About 2-[(4S)-4-(4-propan-2-ylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole

2-[(4S)-4-(4-propan-2-ylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole (PubChem CID 169165231) has the molecular formula C22H21N9O and a molecular weight of 427.47 g/mol. Its IUPAC name is 2-[(4S)-4-(4-propan-2-ylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4S)-4-(4-propan-2-ylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
PubChem CID169165231
Molecular FormulaC22H21N9O
Molecular Weight427.47 g/mol
Exact Mass427.19
IUPAC Name2-[(4S)-4-(4-propan-2-ylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1cccn2nc([C@@H]3c4nc[nH]c4CCN3c3nnc(-c4cnccn4)o3)cc12
InChIInChI=1S/C22H21N9O/c1-13(2)14-4-3-8-31-18(14)10-16(29-31)20-19-15(25-12-26-19)5-9-30(20)22-28-27-21(32-22)17-11-23-6-7-24-17/h3-4,6-8,10-13,20H,5,9H2,1-2H3,(H,25,26)/t20-/m1/s1
InChIKeyWGCBAZSSKQYOOM-HXUWFJFHSA-N
XLogP3.17
TPSA113.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[(4S)-4-(4-propan-2-ylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 169166041
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
4-(4-propan-2-ylpyrazolo[1,5-a]pyridin-2-yl)-5-pyrazin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 170332266
2-[4-[4-(difluoromethyl)pyrazolo[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 170332789
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-[(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-[(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-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-methyl-1,3,4-oxadiazole
CID 169165373
2-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyridazin-3-yl-1,3,4-oxadiazole
CID 170332867
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-tert-butyl-5-[(4R)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 169166186
2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole
CID 176928821

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(4-propan-2-ylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4S)-4-(4-propan-2-ylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole (CID 169165231) is 2-[(4S)-4-(4-propan-2-ylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4S)-4-(4-propan-2-ylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4S)-4-(4-propan-2-ylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole is CC(C)c1cccn2nc([C@@H]3c4nc[nH]c4CCN3c3nnc(-c4cnccn4)o3)cc12.
What is the InChIKey of 2-[(4S)-4-(4-propan-2-ylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The InChIKey is WGCBAZSSKQYOOM-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H21N9O/c1-13(2)14-4-3-8-31-18(14)10-16(29-31)20-19-15(25-12-26-19)5-9-30(20)22-28-27-21(32-22)17-11-23-6-7-24-17/h3-4,6-8,10-13,20H,5,9H2,1-2H3,(H,25,26)/t20-/m1/s1.
What are the key properties of 2-[(4S)-4-(4-propan-2-ylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
2-[(4S)-4-(4-propan-2-ylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole has a molecular weight of 427.47 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(4-propan-2-ylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 169165231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).