4-(aminomethyl)-1-[3-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol

C17H19ClN6O — CID 134367966

IUPAC4-(aminomethyl)-1-[3-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol
SMILESNCC1(O)CCN(c2cnc3c(-c4cccc(Cl)c4)[nH]nc3n2)CC1
InChIInChI=1S/C17H19ClN6O/c18-12-3-1-2-11(8-12)14-15-16(23-22-14)21-13(9-20-15)24-6-4-17(25,10-19)5-7-24/h1-3,8-9,25H,4-7,10,19H2,(H,21,22,23)
InChIKeyJCFHNLNVZCVDJK-UHFFFAOYSA-N
MW358.83 g/mol
LogP1.96
Rot. Bonds3

About 4-(aminomethyl)-1-[3-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol

4-(aminomethyl)-1-[3-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol (PubChem CID 134367966) has the molecular formula C17H19ClN6O and a molecular weight of 358.83 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[3-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-[3-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol
PubChem CID134367966
Molecular FormulaC17H19ClN6O
Molecular Weight358.83 g/mol
Exact Mass358.13
IUPAC Name4-(aminomethyl)-1-[3-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol
SMILESNCC1(O)CCN(c2cnc3c(-c4cccc(Cl)c4)[nH]nc3n2)CC1
InChIInChI=1S/C17H19ClN6O/c18-12-3-1-2-11(8-12)14-15-16(23-22-14)21-13(9-20-15)24-6-4-17(25,10-19)5-7-24/h1-3,8-9,25H,4-7,10,19H2,(H,21,22,23)
InChIKeyJCFHNLNVZCVDJK-UHFFFAOYSA-N
XLogP1.96
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[3-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol?
The IUPAC name of 4-(aminomethyl)-1-[3-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol (CID 134367966) is 4-(aminomethyl)-1-[3-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol.
What is the SMILES notation for 4-(aminomethyl)-1-[3-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol?
The canonical SMILES for 4-(aminomethyl)-1-[3-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol is NCC1(O)CCN(c2cnc3c(-c4cccc(Cl)c4)[nH]nc3n2)CC1.
What is the InChIKey of 4-(aminomethyl)-1-[3-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol?
The InChIKey is JCFHNLNVZCVDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O/c18-12-3-1-2-11(8-12)14-15-16(23-22-14)21-13(9-20-15)24-6-4-17(25,10-19)5-7-24/h1-3,8-9,25H,4-7,10,19H2,(H,21,22,23).
What are the key properties of 4-(aminomethyl)-1-[3-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol?
4-(aminomethyl)-1-[3-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol has a molecular weight of 358.83 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[3-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol is sourced from PubChem (CID 134367966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).