5,7-dimethyl-3-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine

C18H24N6 — CID 77098483

IUPAC5,7-dimethyl-3-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(CN3CCCC(c4nccn4C)C3)c2n1
InChIInChI=1S/C18H24N6/c1-13-9-14(2)24-18(21-13)16(10-20-24)12-23-7-4-5-15(11-23)17-19-6-8-22(17)3/h6,8-10,15H,4-5,7,11-12H2,1-3H3
InChIKeyGKJHWLNVZCBNAP-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.46
Rot. Bonds3

About 5,7-dimethyl-3-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine

5,7-dimethyl-3-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 77098483) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 5,7-dimethyl-3-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-3-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
PubChem CID77098483
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name5,7-dimethyl-3-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(CN3CCCC(c4nccn4C)C3)c2n1
InChIInChI=1S/C18H24N6/c1-13-9-14(2)24-18(21-13)16(10-20-24)12-23-7-4-5-15(11-23)17-19-6-8-22(17)3/h6,8-10,15H,4-5,7,11-12H2,1-3H3
InChIKeyGKJHWLNVZCBNAP-UHFFFAOYSA-N
XLogP2.46
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-dimethyl-3-[[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 110106306
4-[(3R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-3-yl]benzoic acid
CID 97188266
4-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-3-yl]benzoic acid
CID 72844801
5,7-dimethyl-3-[[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 124973365
5,7-dimethyl-3-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 125027023
N-[2-[(3R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-3-yl]ethyl]acetamide
CID 95230082
3-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 77083067
2-methyl-4-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 70716382
(3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96573404
5,7-dimethyl-3-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 95119708
(2S)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 125007734
(3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
CID 96575360

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-3-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine (CID 77098483) is 5,7-dimethyl-3-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-3-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-3-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2ncc(CN3CCCC(c4nccn4C)C3)c2n1.
What is the InChIKey of 5,7-dimethyl-3-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is GKJHWLNVZCBNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-13-9-14(2)24-18(21-13)16(10-20-24)12-23-7-4-5-15(11-23)17-19-6-8-22(17)3/h6,8-10,15H,4-5,7,11-12H2,1-3H3.
What are the key properties of 5,7-dimethyl-3-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine?
5,7-dimethyl-3-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 324.43 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 77098483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).