6-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine

C15H17N7 — CID 125020940

IUPAC6-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESNc1[nH]nc2nc([C@@H]3CCCN(c4ncccn4)C3)ccc12
InChIInChI=1S/C15H17N7/c16-13-11-4-5-12(19-14(11)21-20-13)10-3-1-8-22(9-10)15-17-6-2-7-18-15/h2,4-7,10H,1,3,8-9H2,(H3,16,19,20,21)/t10-/m1/s1
InChIKeyYGIIIRFPBZKORD-SNVBAGLBSA-N
MW295.35 g/mol
LogP1.71
Rot. Bonds2

About 6-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine

6-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 125020940) has the molecular formula C15H17N7 and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name6-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID125020940
Molecular FormulaC15H17N7
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC Name6-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESNc1[nH]nc2nc([C@@H]3CCCN(c4ncccn4)C3)ccc12
InChIInChI=1S/C15H17N7/c16-13-11-4-5-12(19-14(11)21-20-13)10-3-1-8-22(9-10)15-17-6-2-7-18-15/h2,4-7,10H,1,3,8-9H2,(H3,16,19,20,21)/t10-/m1/s1
InChIKeyYGIIIRFPBZKORD-SNVBAGLBSA-N
XLogP1.71
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 6-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 125020940) is 6-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 6-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 6-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine is Nc1[nH]nc2nc([C@@H]3CCCN(c4ncccn4)C3)ccc12.
What is the InChIKey of 6-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is YGIIIRFPBZKORD-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17N7/c16-13-11-4-5-12(19-14(11)21-20-13)10-3-1-8-22(9-10)15-17-6-2-7-18-15/h2,4-7,10H,1,3,8-9H2,(H3,16,19,20,21)/t10-/m1/s1.
What are the key properties of 6-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
6-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 295.35 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 125020940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).