7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine

C21H26N4O — CID 1441053

IUPAC7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc3nc(C)cc(N4C[C@H](C)C[C@@H](C)C4)n3n2)cc1
InChIInChI=1S/C21H26N4O/c1-14-9-15(2)13-24(12-14)21-10-16(3)22-20-11-19(23-25(20)21)17-5-7-18(26-4)8-6-17/h5-8,10-11,14-15H,9,12-13H2,1-4H3/t14-,15-/m1/s1
InChIKeyYVCQBCJHRUNBFT-HUUCEWRRSA-N
MW350.47 g/mol
LogP4.20
Rot. Bonds3

About 7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine

7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 1441053) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine
PubChem CID1441053
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc3nc(C)cc(N4C[C@H](C)C[C@@H](C)C4)n3n2)cc1
InChIInChI=1S/C21H26N4O/c1-14-9-15(2)13-24(12-14)21-10-16(3)22-20-11-19(23-25(20)21)17-5-7-18(26-4)8-6-17/h5-8,10-11,14-15H,9,12-13H2,1-4H3/t14-,15-/m1/s1
InChIKeyYVCQBCJHRUNBFT-HUUCEWRRSA-N
XLogP4.20
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

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-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 1441109
7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 1441107
1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol
CID 3229908
7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 7440837
1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 50821900
N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 50821949
[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 44607977
1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 46378530
N-(3-chloro-2-methylphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378519
1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 50821899
7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 8741386

Frequently Asked Questions

What is the IUPAC name of 7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine (CID 1441053) is 7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine is COc1ccc(-c2cc3nc(C)cc(N4C[C@H](C)C[C@@H](C)C4)n3n2)cc1.
What is the InChIKey of 7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is YVCQBCJHRUNBFT-HUUCEWRRSA-N. The full InChI is InChI=1S/C21H26N4O/c1-14-9-15(2)13-24(12-14)21-10-16(3)22-20-11-19(23-25(20)21)17-5-7-18(26-4)8-6-17/h5-8,10-11,14-15H,9,12-13H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of 7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 350.47 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1441053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).