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

C22H28N6 — CID 71225996

IUPAC4-(3-phenylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
SMILESc1ccc(C2CCN(c3ncnc4c3cnn4CCN3CCCCC3)C2)cc1
InChIInChI=1S/C22H28N6/c1-3-7-18(8-4-1)19-9-12-27(16-19)21-20-15-25-28(22(20)24-17-23-21)14-13-26-10-5-2-6-11-26/h1,3-4,7-8,15,17,19H,2,5-6,9-14,16H2
InChIKeyMOEBXQNKDNLLMQ-UHFFFAOYSA-N
MW376.51 g/mol
LogP3.31
Rot. Bonds5

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

4-(3-phenylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 71225996) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is 4-(3-phenylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(3-phenylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
PubChem CID71225996
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name4-(3-phenylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
SMILESc1ccc(C2CCN(c3ncnc4c3cnn4CCN3CCCCC3)C2)cc1
InChIInChI=1S/C22H28N6/c1-3-7-18(8-4-1)19-9-12-27(16-19)21-20-15-25-28(22(20)24-17-23-21)14-13-26-10-5-2-6-11-26/h1,3-4,7-8,15,17,19H,2,5-6,9-14,16H2
InChIKeyMOEBXQNKDNLLMQ-UHFFFAOYSA-N
XLogP3.31
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzimidazol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
CID 71226102
1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 71226198
1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 141177025
1-phenyl-4-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 164635273
1-phenyl-4-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 97211756
3-[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile
CID 86774067
4-[1-(2-phenoxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 1098828
2-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol
CID 86774237
1-[(3S)-3-phenylpyrrolidin-1-yl]isoquinolin-4-amine
CID 139559682
1-(3-phenylpyrrolidin-1-yl)isoquinolin-4-amine
CID 139559681
1-[(3R)-3-phenylpyrrolidin-1-yl]isoquinolin-4-amine
CID 139559680
N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide
CID 42099679

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(3-phenylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine (CID 71225996) is 4-(3-phenylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(3-phenylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(3-phenylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine is c1ccc(C2CCN(c3ncnc4c3cnn4CCN3CCCCC3)C2)cc1.
What is the InChIKey of 4-(3-phenylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is MOEBXQNKDNLLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6/c1-3-7-18(8-4-1)19-9-12-27(16-19)21-20-15-25-28(22(20)24-17-23-21)14-13-26-10-5-2-6-11-26/h1,3-4,7-8,15,17,19H,2,5-6,9-14,16H2.
What are the key properties of 4-(3-phenylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
4-(3-phenylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 376.51 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 71225996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).