(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

C20H19N7O2 — CID 131894570

IUPAC(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
SMILESCc1cc2nc(C(=O)N3CCC[C@H]3c3nc(-c4ccncc4)no3)cc(C)n2n1
InChIInChI=1S/C20H19N7O2/c1-12-10-17-22-15(11-13(2)27(17)24-12)20(28)26-9-3-4-16(26)19-23-18(25-29-19)14-5-7-21-8-6-14/h5-8,10-11,16H,3-4,9H2,1-2H3/t16-/m0/s1
InChIKeyOYRZJLPPRQRWGG-INIZCTEOSA-N
MW389.42 g/mol
LogP2.77
Rot. Bonds3

About (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

(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 (PubChem CID 131894570) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID131894570
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name(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
SMILESCc1cc2nc(C(=O)N3CCC[C@H]3c3nc(-c4ccncc4)no3)cc(C)n2n1
InChIInChI=1S/C20H19N7O2/c1-12-10-17-22-15(11-13(2)27(17)24-12)20(28)26-9-3-4-16(26)19-23-18(25-29-19)14-5-7-21-8-6-14/h5-8,10-11,16H,3-4,9H2,1-2H3/t16-/m0/s1
InChIKeyOYRZJLPPRQRWGG-INIZCTEOSA-N
XLogP2.77
TPSA102.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Related Compounds

pyrazin-2-yl-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 53192003
[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 91888691
[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 91906389
[(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95116507
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70770940
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70717848
(3,4-dimethylphenyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 125127342
2-methyl-6-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 96574664
(2-methylazepan-1-yl)-[7-methyl-2-(4-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methanone
CID 139400783
[(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 7271165
(4-chlorophenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 4240880
(3,5-dimethylphenyl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 75527838

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc2nc(C(=O)N3CCC[C@H]3c3nc(-c4ccncc4)no3)cc(C)n2n1.
What is the InChIKey of (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?
The InChIKey is OYRZJLPPRQRWGG-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-12-10-17-22-15(11-13(2)27(17)24-12)20(28)26-9-3-4-16(26)19-23-18(25-29-19)14-5-7-21-8-6-14/h5-8,10-11,16H,3-4,9H2,1-2H3/t16-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 389.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 131894570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).