2-[3-amino-1-[1-(2-piperidin-4-yloxy-4-pyridinyl)piperidin-4-yl]pyrazolo[4,3-c]pyridazin-6-yl]phenol

C26H30N8O2 — CID 168896440

IUPAC2-[3-amino-1-[1-(2-piperidin-4-yloxy-4-pyridinyl)piperidin-4-yl]pyrazolo[4,3-c]pyridazin-6-yl]phenol
SMILESNc1nn(C2CCN(c3ccnc(OC4CCNCC4)c3)CC2)c2cc(-c3ccccc3O)nnc12
InChIInChI=1S/C26H30N8O2/c27-26-25-22(16-21(30-31-25)20-3-1-2-4-23(20)35)34(32-26)17-8-13-33(14-9-17)18-5-12-29-24(15-18)36-19-6-10-28-11-7-19/h1-5,12,15-17,19,28,35H,6-11,13-14H2,(H2,27,32)
InChIKeyCONCIILUTTWYPB-UHFFFAOYSA-N
MW486.58 g/mol
LogP3.15
Rot. Bonds5

About 2-[3-amino-1-[1-(2-piperidin-4-yloxy-4-pyridinyl)piperidin-4-yl]pyrazolo[4,3-c]pyridazin-6-yl]phenol

2-[3-amino-1-[1-(2-piperidin-4-yloxy-4-pyridinyl)piperidin-4-yl]pyrazolo[4,3-c]pyridazin-6-yl]phenol (PubChem CID 168896440) has the molecular formula C26H30N8O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is 2-[3-amino-1-[1-(2-piperidin-4-yloxy-4-pyridinyl)piperidin-4-yl]pyrazolo[4,3-c]pyridazin-6-yl]phenol.

Molecular Properties

Compound Name2-[3-amino-1-[1-(2-piperidin-4-yloxy-4-pyridinyl)piperidin-4-yl]pyrazolo[4,3-c]pyridazin-6-yl]phenol
PubChem CID168896440
Molecular FormulaC26H30N8O2
Molecular Weight486.58 g/mol
Exact Mass486.25
IUPAC Name2-[3-amino-1-[1-(2-piperidin-4-yloxy-4-pyridinyl)piperidin-4-yl]pyrazolo[4,3-c]pyridazin-6-yl]phenol
SMILESNc1nn(C2CCN(c3ccnc(OC4CCNCC4)c3)CC2)c2cc(-c3ccccc3O)nnc12
InChIInChI=1S/C26H30N8O2/c27-26-25-22(16-21(30-31-25)20-3-1-2-4-23(20)35)34(32-26)17-8-13-33(14-9-17)18-5-12-29-24(15-18)36-19-6-10-28-11-7-19/h1-5,12,15-17,19,28,35H,6-11,13-14H2,(H2,27,32)
InChIKeyCONCIILUTTWYPB-UHFFFAOYSA-N
XLogP3.15
TPSA127.24 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-1-[1-(2-piperidin-4-yloxy-4-pyridinyl)piperidin-4-yl]pyrazolo[4,3-c]pyridazin-6-yl]phenol?
The IUPAC name of 2-[3-amino-1-[1-(2-piperidin-4-yloxy-4-pyridinyl)piperidin-4-yl]pyrazolo[4,3-c]pyridazin-6-yl]phenol (CID 168896440) is 2-[3-amino-1-[1-(2-piperidin-4-yloxy-4-pyridinyl)piperidin-4-yl]pyrazolo[4,3-c]pyridazin-6-yl]phenol.
What is the SMILES notation for 2-[3-amino-1-[1-(2-piperidin-4-yloxy-4-pyridinyl)piperidin-4-yl]pyrazolo[4,3-c]pyridazin-6-yl]phenol?
The canonical SMILES for 2-[3-amino-1-[1-(2-piperidin-4-yloxy-4-pyridinyl)piperidin-4-yl]pyrazolo[4,3-c]pyridazin-6-yl]phenol is Nc1nn(C2CCN(c3ccnc(OC4CCNCC4)c3)CC2)c2cc(-c3ccccc3O)nnc12.
What is the InChIKey of 2-[3-amino-1-[1-(2-piperidin-4-yloxy-4-pyridinyl)piperidin-4-yl]pyrazolo[4,3-c]pyridazin-6-yl]phenol?
The InChIKey is CONCIILUTTWYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O2/c27-26-25-22(16-21(30-31-25)20-3-1-2-4-23(20)35)34(32-26)17-8-13-33(14-9-17)18-5-12-29-24(15-18)36-19-6-10-28-11-7-19/h1-5,12,15-17,19,28,35H,6-11,13-14H2,(H2,27,32).
What are the key properties of 2-[3-amino-1-[1-(2-piperidin-4-yloxy-4-pyridinyl)piperidin-4-yl]pyrazolo[4,3-c]pyridazin-6-yl]phenol?
2-[3-amino-1-[1-(2-piperidin-4-yloxy-4-pyridinyl)piperidin-4-yl]pyrazolo[4,3-c]pyridazin-6-yl]phenol has a molecular weight of 486.58 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-1-[1-(2-piperidin-4-yloxy-4-pyridinyl)piperidin-4-yl]pyrazolo[4,3-c]pyridazin-6-yl]phenol is sourced from PubChem (CID 168896440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).