4-(3,3-dimethylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine

C18H28N6 — CID 71225643

IUPAC4-(3,3-dimethylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
SMILESCC1(C)CCN(c2ncnc3c2cnn3CCN2CCCCC2)C1
InChIInChI=1S/C18H28N6/c1-18(2)6-9-23(13-18)16-15-12-21-24(17(15)20-14-19-16)11-10-22-7-4-3-5-8-22/h12,14H,3-11,13H2,1-2H3
InChIKeyKNVMKWMIXDJQAN-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.55
Rot. Bonds4

About 4-(3,3-dimethylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine

4-(3,3-dimethylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 71225643) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-(3,3-dimethylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(3,3-dimethylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
PubChem CID71225643
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name4-(3,3-dimethylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
SMILESCC1(C)CCN(c2ncnc3c2cnn3CCN2CCCCC2)C1
InChIInChI=1S/C18H28N6/c1-18(2)6-9-23(13-18)16-15-12-21-24(17(15)20-14-19-16)11-10-22-7-4-3-5-8-22/h12,14H,3-11,13H2,1-2H3
InChIKeyKNVMKWMIXDJQAN-UHFFFAOYSA-N
XLogP2.55
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(3,3-dimethylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine (CID 71225643) is 4-(3,3-dimethylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(3,3-dimethylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(3,3-dimethylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine is CC1(C)CCN(c2ncnc3c2cnn3CCN2CCCCC2)C1.
What is the InChIKey of 4-(3,3-dimethylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is KNVMKWMIXDJQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-18(2)6-9-23(13-18)16-15-12-21-24(17(15)20-14-19-16)11-10-22-7-4-3-5-8-22/h12,14H,3-11,13H2,1-2H3.
What are the key properties of 4-(3,3-dimethylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
4-(3,3-dimethylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 328.46 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 71225643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).