6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile

C14H16BrN7 — CID 156805740

IUPAC6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile
SMILESN#Cc1nc(N2CCC(N)(C3CC3)CC2)nc2n[nH]c(Br)c12
InChIInChI=1S/C14H16BrN7/c15-11-10-9(7-16)18-13(19-12(10)21-20-11)22-5-3-14(17,4-6-22)8-1-2-8/h8H,1-6,17H2,(H,18,19,20,21)
InChIKeyVCFHAUZGBFRJHK-UHFFFAOYSA-N
MW362.24 g/mol
LogP1.69
Rot. Bonds2

About 6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile

6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile (PubChem CID 156805740) has the molecular formula C14H16BrN7 and a molecular weight of 362.24 g/mol. Its IUPAC name is 6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile
PubChem CID156805740
Molecular FormulaC14H16BrN7
Molecular Weight362.24 g/mol
Exact Mass361.07
IUPAC Name6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile
SMILESN#Cc1nc(N2CCC(N)(C3CC3)CC2)nc2n[nH]c(Br)c12
InChIInChI=1S/C14H16BrN7/c15-11-10-9(7-16)18-13(19-12(10)21-20-11)22-5-3-14(17,4-6-22)8-1-2-8/h8H,1-6,17H2,(H,18,19,20,21)
InChIKeyVCFHAUZGBFRJHK-UHFFFAOYSA-N
XLogP1.69
TPSA107.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile?
The IUPAC name of 6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile (CID 156805740) is 6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile is N#Cc1nc(N2CCC(N)(C3CC3)CC2)nc2n[nH]c(Br)c12.
What is the InChIKey of 6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile?
The InChIKey is VCFHAUZGBFRJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN7/c15-11-10-9(7-16)18-13(19-12(10)21-20-11)22-5-3-14(17,4-6-22)8-1-2-8/h8H,1-6,17H2,(H,18,19,20,21).
What are the key properties of 6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile?
6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile has a molecular weight of 362.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-4-cyclopropylpiperidin-1-yl)-3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile is sourced from PubChem (CID 156805740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).