1-phenyl-4-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine

C20H24N6 — CID 97211756

IUPAC1-phenyl-4-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-n2ncc3c(N4CC[C@@H](N5CCCCC5)C4)ncnc32)cc1
InChIInChI=1S/C20H24N6/c1-3-7-16(8-4-1)26-20-18(13-23-26)19(21-15-22-20)25-12-9-17(14-25)24-10-5-2-6-11-24/h1,3-4,7-8,13,15,17H,2,5-6,9-12,14H2/t17-/m1/s1
InChIKeyXMJOCYVISSSZFS-QGZVFWFLSA-N
MW348.45 g/mol
LogP2.88
Rot. Bonds3

About 1-phenyl-4-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine

1-phenyl-4-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 97211756) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-phenyl-4-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-phenyl-4-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID97211756
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name1-phenyl-4-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-n2ncc3c(N4CC[C@@H](N5CCCCC5)C4)ncnc32)cc1
InChIInChI=1S/C20H24N6/c1-3-7-16(8-4-1)26-20-18(13-23-26)19(21-15-22-20)25-12-9-17(14-25)24-10-5-2-6-11-24/h1,3-4,7-8,13,15,17H,2,5-6,9-12,14H2/t17-/m1/s1
InChIKeyXMJOCYVISSSZFS-QGZVFWFLSA-N
XLogP2.88
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-phenyl-4-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 97211756) is 1-phenyl-4-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-phenyl-4-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-phenyl-4-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine is c1ccc(-n2ncc3c(N4CC[C@@H](N5CCCCC5)C4)ncnc32)cc1.
What is the InChIKey of 1-phenyl-4-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is XMJOCYVISSSZFS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N6/c1-3-7-16(8-4-1)26-20-18(13-23-26)19(21-15-22-20)25-12-9-17(14-25)24-10-5-2-6-11-24/h1,3-4,7-8,13,15,17H,2,5-6,9-12,14H2/t17-/m1/s1.
What are the key properties of 1-phenyl-4-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine?
1-phenyl-4-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 348.45 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 97211756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).