5-amino-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

C13H18N6O — CID 170781528

IUPAC5-amino-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2[nH]nc3ncc(N)cc23)CC1
InChIInChI=1S/C13H18N6O/c1-19-4-2-9(3-5-19)16-13(20)11-10-6-8(14)7-15-12(10)18-17-11/h6-7,9H,2-5,14H2,1H3,(H,16,20)(H,15,17,18)
InChIKeyJCZCKXPIIXDNIX-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.36
Rot. Bonds2

About 5-amino-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

5-amino-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (PubChem CID 170781528) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-amino-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
PubChem CID170781528
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name5-amino-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2[nH]nc3ncc(N)cc23)CC1
InChIInChI=1S/C13H18N6O/c1-19-4-2-9(3-5-19)16-13(20)11-10-6-8(14)7-15-12(10)18-17-11/h6-7,9H,2-5,14H2,1H3,(H,16,20)(H,15,17,18)
InChIKeyJCZCKXPIIXDNIX-UHFFFAOYSA-N
XLogP0.36
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of 5-amino-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (CID 170781528) is 5-amino-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is CN1CCC(NC(=O)c2[nH]nc3ncc(N)cc23)CC1.
What is the InChIKey of 5-amino-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is JCZCKXPIIXDNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-19-4-2-9(3-5-19)16-13(20)11-10-6-8(14)7-15-12(10)18-17-11/h6-7,9H,2-5,14H2,1H3,(H,16,20)(H,15,17,18).
What are the key properties of 5-amino-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
5-amino-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 170781528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).