5-[(2S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole

C17H21N5O — CID 95265044

IUPAC5-[(2S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
SMILESCc1cc([C@@H]2CCCN2Cc2cnc3c(c2)c(C)nn3C)on1
InChIInChI=1S/C17H21N5O/c1-11-7-16(23-20-11)15-5-4-6-22(15)10-13-8-14-12(2)19-21(3)17(14)18-9-13/h7-9,15H,4-6,10H2,1-3H3/t15-/m0/s1
InChIKeyJZSYTRXGSYCXCX-HNNXBMFYSA-N
MW311.39 g/mol
LogP2.91
Rot. Bonds3

About 5-[(2S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole

5-[(2S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole (PubChem CID 95265044) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-[(2S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(2S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
PubChem CID95265044
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name5-[(2S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
SMILESCc1cc([C@@H]2CCCN2Cc2cnc3c(c2)c(C)nn3C)on1
InChIInChI=1S/C17H21N5O/c1-11-7-16(23-20-11)15-5-4-6-22(15)10-13-8-14-12(2)19-21(3)17(14)18-9-13/h7-9,15H,4-6,10H2,1-3H3/t15-/m0/s1
InChIKeyJZSYTRXGSYCXCX-HNNXBMFYSA-N
XLogP2.91
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 66854958
5-[[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine
CID 86879239
3-methyl-5-[(2S)-1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 99930139
3-methyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]-1,2-oxazole
CID 92554049
3-methyl-5-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95079360
3-methyl-5-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]-1,2-oxazole
CID 92554050
3-methyl-5-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 94415528
3-methyl-5-[(2R)-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 94415401
3-methyl-5-[(2S)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 99957100
3-methyl-5-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95218517
5-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120898876
5-[1-[(4-fluorophenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 46952927

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(2S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole (CID 95265044) is 5-[(2S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(2S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(2S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole is Cc1cc([C@@H]2CCCN2Cc2cnc3c(c2)c(C)nn3C)on1.
What is the InChIKey of 5-[(2S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The InChIKey is JZSYTRXGSYCXCX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-11-7-16(23-20-11)15-5-4-6-22(15)10-13-8-14-12(2)19-21(3)17(14)18-9-13/h7-9,15H,4-6,10H2,1-3H3/t15-/m0/s1.
What are the key properties of 5-[(2S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
5-[(2S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole has a molecular weight of 311.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 95265044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).