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

C17H22N6 — CID 74767285

IUPAC4-(1-methylpyrrol-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
SMILESCn1cccc1-c1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C17H22N6/c1-21-7-5-6-15(21)16-14-12-20-23(17(14)19-13-18-16)11-10-22-8-3-2-4-9-22/h5-7,12-13H,2-4,8-11H2,1H3
InChIKeyPYTMSMXFBBOXGH-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.32
Rot. Bonds4

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

4-(1-methylpyrrol-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine (PubChem CID 74767285) has the molecular formula C17H22N6 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-(1-methylpyrrol-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(1-methylpyrrol-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
PubChem CID74767285
Molecular FormulaC17H22N6
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC Name4-(1-methylpyrrol-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
SMILESCn1cccc1-c1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C17H22N6/c1-21-7-5-6-15(21)16-14-12-20-23(17(14)19-13-18-16)11-10-22-8-3-2-4-9-22/h5-7,12-13H,2-4,8-11H2,1H3
InChIKeyPYTMSMXFBBOXGH-UHFFFAOYSA-N
XLogP2.32
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrrol-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-(1-methylpyrrol-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine (CID 74767285) is 4-(1-methylpyrrol-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-(1-methylpyrrol-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-(1-methylpyrrol-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine is Cn1cccc1-c1ncnc2c1cnn2CCN1CCCCC1.
What is the InChIKey of 4-(1-methylpyrrol-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is PYTMSMXFBBOXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-21-7-5-6-15(21)16-14-12-20-23(17(14)19-13-18-16)11-10-22-8-3-2-4-9-22/h5-7,12-13H,2-4,8-11H2,1H3.
What are the key properties of 4-(1-methylpyrrol-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
4-(1-methylpyrrol-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 310.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrrol-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 74767285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).