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

C18H25N7 — CID 74767365

IUPAC1-(2-piperidin-1-ylethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidine
SMILESCC(C)n1cc(-c2ncnc3c2cnn3CCN2CCCCC2)cn1
InChIInChI=1S/C18H25N7/c1-14(2)25-12-15(10-21-25)17-16-11-22-24(18(16)20-13-19-17)9-8-23-6-4-3-5-7-23/h10-14H,3-9H2,1-2H3
InChIKeyLDFKBHVAEPBLRV-UHFFFAOYSA-N
MW339.45 g/mol
LogP2.76
Rot. Bonds5

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

1-(2-piperidin-1-ylethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidine (PubChem CID 74767365) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidine
PubChem CID74767365
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Name1-(2-piperidin-1-ylethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidine
SMILESCC(C)n1cc(-c2ncnc3c2cnn3CCN2CCCCC2)cn1
InChIInChI=1S/C18H25N7/c1-14(2)25-12-15(10-21-25)17-16-11-22-24(18(16)20-13-19-17)9-8-23-6-4-3-5-7-23/h10-14H,3-9H2,1-2H3
InChIKeyLDFKBHVAEPBLRV-UHFFFAOYSA-N
XLogP2.76
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 1-(2-piperidin-1-ylethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidine (CID 74767365) is 1-(2-piperidin-1-ylethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidine is CC(C)n1cc(-c2ncnc3c2cnn3CCN2CCCCC2)cn1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is LDFKBHVAEPBLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7/c1-14(2)25-12-15(10-21-25)17-16-11-22-24(18(16)20-13-19-17)9-8-23-6-4-3-5-7-23/h10-14H,3-9H2,1-2H3.
What are the key properties of 1-(2-piperidin-1-ylethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidine?
1-(2-piperidin-1-ylethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 339.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 74767365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).