6-benzyl-7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine

C28H32N4 — CID 7583080

IUPAC6-benzyl-7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2c(-c3ccccc3)c(C)nn2c(N2C[C@@H](C)C[C@H](C)C2)c1Cc1ccccc1
InChIInChI=1S/C28H32N4/c1-19-15-20(2)18-31(17-19)28-25(16-23-11-7-5-8-12-23)21(3)29-27-26(22(4)30-32(27)28)24-13-9-6-10-14-24/h5-14,19-20H,15-18H2,1-4H3/t19-,20-/m0/s1
InChIKeyCHEBYCYMYWTTNK-PMACEKPBSA-N
MW424.59 g/mol
LogP6.09
Rot. Bonds4

About 6-benzyl-7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine

6-benzyl-7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 7583080) has the molecular formula C28H32N4 and a molecular weight of 424.59 g/mol. Its IUPAC name is 6-benzyl-7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-benzyl-7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID7583080
Molecular FormulaC28H32N4
Molecular Weight424.59 g/mol
Exact Mass424.26
IUPAC Name6-benzyl-7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2c(-c3ccccc3)c(C)nn2c(N2C[C@@H](C)C[C@H](C)C2)c1Cc1ccccc1
InChIInChI=1S/C28H32N4/c1-19-15-20(2)18-31(17-19)28-25(16-23-11-7-5-8-12-23)21(3)29-27-26(22(4)30-32(27)28)24-13-9-6-10-14-24/h5-14,19-20H,15-18H2,1-4H3/t19-,20-/m0/s1
InChIKeyCHEBYCYMYWTTNK-PMACEKPBSA-N
XLogP6.09
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-benzyl-7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

7-(3,5-dimethylpiperidin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 3790883
6-benzyl-7-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 92762019
6-benzyl-7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 92762020
6-ethyl-2,5-dimethyl-3-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 2035725
[4-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3706685
6-benzyl-N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3830101
6-benzyl-2,5-dimethyl-3-phenyl-7-prop-2-enylsulfanylpyrazolo[1,5-a]pyrimidine
CID 2023283
6-benzyl-N-hexyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4639358
6-benzyl-2,5-dimethyl-3-phenyl-N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 3747470
2-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-(4-hydroxyphenyl)acetamide
CID 3264033
6-benzyl-7-[(2,4-dichlorophenyl)methylsulfanyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 3405171
2-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 3832879

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-benzyl-7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine (CID 7583080) is 6-benzyl-7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-benzyl-7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-benzyl-7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine is Cc1nc2c(-c3ccccc3)c(C)nn2c(N2C[C@@H](C)C[C@H](C)C2)c1Cc1ccccc1.
What is the InChIKey of 6-benzyl-7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is CHEBYCYMYWTTNK-PMACEKPBSA-N. The full InChI is InChI=1S/C28H32N4/c1-19-15-20(2)18-31(17-19)28-25(16-23-11-7-5-8-12-23)21(3)29-27-26(22(4)30-32(27)28)24-13-9-6-10-14-24/h5-14,19-20H,15-18H2,1-4H3/t19-,20-/m0/s1.
What are the key properties of 6-benzyl-7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
6-benzyl-7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 424.59 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 7583080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).