5-[(2R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole

C20H21N7O — CID 95188083

IUPAC5-[(2R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1cc(C)n2ncc(CN3CCC[C@@H]3c3nc(-c4ccncc4)no3)c2n1
InChIInChI=1S/C20H21N7O/c1-13-10-14(2)27-19(23-13)16(11-22-27)12-26-9-3-4-17(26)20-24-18(25-28-20)15-5-7-21-8-6-15/h5-8,10-11,17H,3-4,9,12H2,1-2H3/t17-/m1/s1
InChIKeySENRZSODHJVOPK-QGZVFWFLSA-N
MW375.44 g/mol
LogP3.13
Rot. Bonds4

About 5-[(2R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole

5-[(2R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 95188083) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 5-[(2R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID95188083
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name5-[(2R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1cc(C)n2ncc(CN3CCC[C@@H]3c3nc(-c4ccncc4)no3)c2n1
InChIInChI=1S/C20H21N7O/c1-13-10-14(2)27-19(23-13)16(11-22-27)12-26-9-3-4-17(26)20-24-18(25-28-20)15-5-7-21-8-6-15/h5-8,10-11,17H,3-4,9,12H2,1-2H3/t17-/m1/s1
InChIKeySENRZSODHJVOPK-QGZVFWFLSA-N
XLogP3.13
TPSA85.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(2R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

5,7-dimethyl-3-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 95119708
5-[(2R)-1-benzylpyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95147378
5-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 50963117
5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191859
5-[(2S)-1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 77086922
5-[1-(cyclopropylmethyl)piperidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191879
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 131894570
3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 75614858
3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 163128524
3-[2-(2-methoxyethoxy)-4-pyridinyl]-5-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 75131050
3-(6-pyridin-4-yl-3-pyridinyl)-5-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 51136965
1-[4-[4-[5-[(2S)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 51136828

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 95188083) is 5-[(2R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is Cc1cc(C)n2ncc(CN3CCC[C@@H]3c3nc(-c4ccncc4)no3)c2n1.
What is the InChIKey of 5-[(2R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is SENRZSODHJVOPK-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N7O/c1-13-10-14(2)27-19(23-13)16(11-22-27)12-26-9-3-4-17(26)20-24-18(25-28-20)15-5-7-21-8-6-15/h5-8,10-11,17H,3-4,9,12H2,1-2H3/t17-/m1/s1.
What are the key properties of 5-[(2R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[(2R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 375.44 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 95188083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).