1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-4-amine

C15H19N7 — CID 71254221

IUPAC1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2[nH]nc3cnc(-c4cn[nH]c4)cc23)CC1
InChIInChI=1S/C15H19N7/c16-11-1-3-22(4-2-11)9-15-12-5-13(10-6-18-19-7-10)17-8-14(12)20-21-15/h5-8,11H,1-4,9,16H2,(H,18,19)(H,20,21)
InChIKeyYBAPRVNDLDUEDL-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.27
Rot. Bonds3

About 1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-4-amine

1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-4-amine (PubChem CID 71254221) has the molecular formula C15H19N7 and a molecular weight of 297.37 g/mol. Its IUPAC name is 1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-4-amine
PubChem CID71254221
Molecular FormulaC15H19N7
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2[nH]nc3cnc(-c4cn[nH]c4)cc23)CC1
InChIInChI=1S/C15H19N7/c16-11-1-3-22(4-2-11)9-15-12-5-13(10-6-18-19-7-10)17-8-14(12)20-21-15/h5-8,11H,1-4,9,16H2,(H,18,19)(H,20,21)
InChIKeyYBAPRVNDLDUEDL-UHFFFAOYSA-N
XLogP1.27
TPSA99.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-4-amine (CID 71254221) is 1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-4-amine is NC1CCN(Cc2[nH]nc3cnc(-c4cn[nH]c4)cc23)CC1.
What is the InChIKey of 1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-4-amine?
The InChIKey is YBAPRVNDLDUEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7/c16-11-1-3-22(4-2-11)9-15-12-5-13(10-6-18-19-7-10)17-8-14(12)20-21-15/h5-8,11H,1-4,9,16H2,(H,18,19)(H,20,21).
What are the key properties of 1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-4-amine?
1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-4-amine has a molecular weight of 297.37 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 71254221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).