7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine

C22H28N4O — CID 1441107

IUPAC7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc3nc(C)c(C)c(N4C[C@@H](C)C[C@H](C)C4)n3n2)cc1
InChIInChI=1S/C22H28N4O/c1-14-10-15(2)13-25(12-14)22-16(3)17(4)23-21-11-20(24-26(21)22)18-6-8-19(27-5)9-7-18/h6-9,11,14-15H,10,12-13H2,1-5H3/t14-,15-/m0/s1
InChIKeyNQICQTZOWGIWQZ-GJZGRUSLSA-N
MW364.49 g/mol
LogP4.50
Rot. Bonds3

About 7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine

7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 1441107) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID1441107
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc3nc(C)c(C)c(N4C[C@@H](C)C[C@H](C)C4)n3n2)cc1
InChIInChI=1S/C22H28N4O/c1-14-10-15(2)13-25(12-14)22-16(3)17(4)23-21-11-20(24-26(21)22)18-6-8-19(27-5)9-7-18/h6-9,11,14-15H,10,12-13H2,1-5H3/t14-,15-/m0/s1
InChIKeyNQICQTZOWGIWQZ-GJZGRUSLSA-N
XLogP4.50
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 1441109
7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 1441053
7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 1441052
7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 7440837
2-(3,4-dimethoxyphenyl)-5,6-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 1434726
(2S,6R)-4-[2-(furan-2-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-2,6-dimethylmorpholine
CID 51596288
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-11-(3-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 1441230
5,6-dimethyl-7-piperazin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 82270589
1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol
CID 3229908
diethyl-[3-[[2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]azanium
CID 7440560
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-11-(3-fluorophenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 1441247
4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 1441348

Frequently Asked Questions

What is the IUPAC name of 7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine (CID 1441107) is 7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine is COc1ccc(-c2cc3nc(C)c(C)c(N4C[C@@H](C)C[C@H](C)C4)n3n2)cc1.
What is the InChIKey of 7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is NQICQTZOWGIWQZ-GJZGRUSLSA-N. The full InChI is InChI=1S/C22H28N4O/c1-14-10-15(2)13-25(12-14)22-16(3)17(4)23-21-11-20(24-26(21)22)18-6-8-19(27-5)9-7-18/h6-9,11,14-15H,10,12-13H2,1-5H3/t14-,15-/m0/s1.
What are the key properties of 7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine?
7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 364.49 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1441107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).