5-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-[1-(oxan-4-yl)azetidin-3-yl]pyridazin-3-yl]phenol;hydrochloride

C25H27ClN6O2 — CID 168895619

IUPAC5-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-[1-(oxan-4-yl)azetidin-3-yl]pyridazin-3-yl]phenol;hydrochloride
SMILESCl.Cn1cc2nc(-c3ccc(-c4ccc(C5CN(C6CCOCC6)C5)nn4)c(O)c3)ccc2n1
InChIInChI=1S/C25H26N6O2.ClH/c1-30-15-24-23(29-30)7-4-20(26-24)16-2-3-19(25(32)12-16)22-6-5-21(27-28-22)17-13-31(14-17)18-8-10-33-11-9-18;/h2-7,12,15,17-18,32H,8-11,13-14H2,1H3;1H
InChIKeyFHQOBMKRXHBVJK-UHFFFAOYSA-N
MW478.98 g/mol
LogP3.80
Rot. Bonds4

About 5-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-[1-(oxan-4-yl)azetidin-3-yl]pyridazin-3-yl]phenol;hydrochloride

5-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-[1-(oxan-4-yl)azetidin-3-yl]pyridazin-3-yl]phenol;hydrochloride (PubChem CID 168895619) has the molecular formula C25H27ClN6O2 and a molecular weight of 478.98 g/mol. Its IUPAC name is 5-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-[1-(oxan-4-yl)azetidin-3-yl]pyridazin-3-yl]phenol;hydrochloride.

Molecular Properties

Compound Name5-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-[1-(oxan-4-yl)azetidin-3-yl]pyridazin-3-yl]phenol;hydrochloride
PubChem CID168895619
Molecular FormulaC25H27ClN6O2
Molecular Weight478.98 g/mol
Exact Mass478.19
IUPAC Name5-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-[1-(oxan-4-yl)azetidin-3-yl]pyridazin-3-yl]phenol;hydrochloride
SMILESCl.Cn1cc2nc(-c3ccc(-c4ccc(C5CN(C6CCOCC6)C5)nn4)c(O)c3)ccc2n1
InChIInChI=1S/C25H26N6O2.ClH/c1-30-15-24-23(29-30)7-4-20(26-24)16-2-3-19(25(32)12-16)22-6-5-21(27-28-22)17-13-31(14-17)18-8-10-33-11-9-18;/h2-7,12,15,17-18,32H,8-11,13-14H2,1H3;1H
InChIKeyFHQOBMKRXHBVJK-UHFFFAOYSA-N
XLogP3.80
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-[1-(oxan-4-yl)azetidin-3-yl]pyridazin-3-yl]phenol;hydrochloride?
The IUPAC name of 5-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-[1-(oxan-4-yl)azetidin-3-yl]pyridazin-3-yl]phenol;hydrochloride (CID 168895619) is 5-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-[1-(oxan-4-yl)azetidin-3-yl]pyridazin-3-yl]phenol;hydrochloride.
What is the SMILES notation for 5-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-[1-(oxan-4-yl)azetidin-3-yl]pyridazin-3-yl]phenol;hydrochloride?
The canonical SMILES for 5-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-[1-(oxan-4-yl)azetidin-3-yl]pyridazin-3-yl]phenol;hydrochloride is Cl.Cn1cc2nc(-c3ccc(-c4ccc(C5CN(C6CCOCC6)C5)nn4)c(O)c3)ccc2n1.
What is the InChIKey of 5-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-[1-(oxan-4-yl)azetidin-3-yl]pyridazin-3-yl]phenol;hydrochloride?
The InChIKey is FHQOBMKRXHBVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2.ClH/c1-30-15-24-23(29-30)7-4-20(26-24)16-2-3-19(25(32)12-16)22-6-5-21(27-28-22)17-13-31(14-17)18-8-10-33-11-9-18;/h2-7,12,15,17-18,32H,8-11,13-14H2,1H3;1H.
What are the key properties of 5-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-[1-(oxan-4-yl)azetidin-3-yl]pyridazin-3-yl]phenol;hydrochloride?
5-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-[1-(oxan-4-yl)azetidin-3-yl]pyridazin-3-yl]phenol;hydrochloride has a molecular weight of 478.98 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-[1-(oxan-4-yl)azetidin-3-yl]pyridazin-3-yl]phenol;hydrochloride is sourced from PubChem (CID 168895619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).