5,7-dimethyl-3-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine

C18H21N5 — CID 95119708

IUPAC5,7-dimethyl-3-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(CN3CCC[C@@H]3c3ccccn3)c2n1
InChIInChI=1S/C18H21N5/c1-13-10-14(2)23-18(21-13)15(11-20-23)12-22-9-5-7-17(22)16-6-3-4-8-19-16/h3-4,6,8,10-11,17H,5,7,9,12H2,1-2H3/t17-/m1/s1
InChIKeyJRPMOHJXKRLFGQ-QGZVFWFLSA-N
MW307.40 g/mol
LogP3.08
Rot. Bonds3

About 5,7-dimethyl-3-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine

5,7-dimethyl-3-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 95119708) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 5,7-dimethyl-3-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-3-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
PubChem CID95119708
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name5,7-dimethyl-3-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(CN3CCC[C@@H]3c3ccccn3)c2n1
InChIInChI=1S/C18H21N5/c1-13-10-14(2)23-18(21-13)15(11-20-23)12-22-9-5-7-17(22)16-6-3-4-8-19-16/h3-4,6,8,10-11,17H,5,7,9,12H2,1-2H3/t17-/m1/s1
InChIKeyJRPMOHJXKRLFGQ-QGZVFWFLSA-N
XLogP3.08
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,7-dimethyl-3-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

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
2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 45189094
5,7-dimethyl-3-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 99946857
2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95730792
5,7-dimethyl-3-[[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 124973365
2-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 95200148
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 95714571
6-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-2-amine
CID 110265127
2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 56714022
5,7-dimethyl-3-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 125027023
4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 95550862

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-3-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine (CID 95119708) is 5,7-dimethyl-3-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-3-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-3-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2ncc(CN3CCC[C@@H]3c3ccccn3)c2n1.
What is the InChIKey of 5,7-dimethyl-3-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is JRPMOHJXKRLFGQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21N5/c1-13-10-14(2)23-18(21-13)15(11-20-23)12-22-9-5-7-17(22)16-6-3-4-8-19-16/h3-4,6,8,10-11,17H,5,7,9,12H2,1-2H3/t17-/m1/s1.
What are the key properties of 5,7-dimethyl-3-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine?
5,7-dimethyl-3-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 307.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 95119708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).