5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol

C23H24N6O — CID 168895654

IUPAC5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol
SMILESCCN1CC(c2ccc(-c3ccc(-c4cc(C)c5nn(C)cc5n4)cc3O)nn2)C1
InChIInChI=1S/C23H24N6O/c1-4-29-11-16(12-29)18-7-8-19(26-25-18)17-6-5-15(10-22(17)30)20-9-14(2)23-21(24-20)13-28(3)27-23/h5-10,13,16,30H,4,11-12H2,1-3H3
InChIKeyDLZQRZSDCAZMIY-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.53
Rot. Bonds4

About 5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol

5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol (PubChem CID 168895654) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol
PubChem CID168895654
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol
SMILESCCN1CC(c2ccc(-c3ccc(-c4cc(C)c5nn(C)cc5n4)cc3O)nn2)C1
InChIInChI=1S/C23H24N6O/c1-4-29-11-16(12-29)18-7-8-19(26-25-18)17-6-5-15(10-22(17)30)20-9-14(2)23-21(24-20)13-28(3)27-23/h5-10,13,16,30H,4,11-12H2,1-3H3
InChIKeyDLZQRZSDCAZMIY-UHFFFAOYSA-N
XLogP3.53
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol?
The IUPAC name of 5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol (CID 168895654) is 5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol.
What is the SMILES notation for 5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol?
The canonical SMILES for 5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol is CCN1CC(c2ccc(-c3ccc(-c4cc(C)c5nn(C)cc5n4)cc3O)nn2)C1.
What is the InChIKey of 5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol?
The InChIKey is DLZQRZSDCAZMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-4-29-11-16(12-29)18-7-8-19(26-25-18)17-6-5-15(10-22(17)30)20-9-14(2)23-21(24-20)13-28(3)27-23/h5-10,13,16,30H,4,11-12H2,1-3H3.
What are the key properties of 5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol?
5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol has a molecular weight of 400.49 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol is sourced from PubChem (CID 168895654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).