5-(7-methoxy-2-methylindazol-5-yl)-2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]pyridin-3-ol

C24H26N6O2 — CID 165083380

IUPAC5-(7-methoxy-2-methylindazol-5-yl)-2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]pyridin-3-ol
SMILESCOc1cc(-c2cnc(-c3ccc(N4CCCC(C)C4)nn3)c(O)c2)cc2cn(C)nc12
InChIInChI=1S/C24H26N6O2/c1-15-5-4-8-30(13-15)22-7-6-19(26-27-22)24-20(31)10-17(12-25-24)16-9-18-14-29(2)28-23(18)21(11-16)32-3/h6-7,9-12,14-15,31H,4-5,8,13H2,1-3H3
InChIKeyUUMKPFMMUSEMDF-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.04
Rot. Bonds4

About 5-(7-methoxy-2-methylindazol-5-yl)-2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]pyridin-3-ol

5-(7-methoxy-2-methylindazol-5-yl)-2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]pyridin-3-ol (PubChem CID 165083380) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 5-(7-methoxy-2-methylindazol-5-yl)-2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-(7-methoxy-2-methylindazol-5-yl)-2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]pyridin-3-ol
PubChem CID165083380
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name5-(7-methoxy-2-methylindazol-5-yl)-2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]pyridin-3-ol
SMILESCOc1cc(-c2cnc(-c3ccc(N4CCCC(C)C4)nn3)c(O)c2)cc2cn(C)nc12
InChIInChI=1S/C24H26N6O2/c1-15-5-4-8-30(13-15)22-7-6-19(26-27-22)24-20(31)10-17(12-25-24)16-9-18-14-29(2)28-23(18)21(11-16)32-3/h6-7,9-12,14-15,31H,4-5,8,13H2,1-3H3
InChIKeyUUMKPFMMUSEMDF-UHFFFAOYSA-N
XLogP4.04
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxy-2-methylindazol-5-yl)-2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]pyridin-3-ol?
The IUPAC name of 5-(7-methoxy-2-methylindazol-5-yl)-2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]pyridin-3-ol (CID 165083380) is 5-(7-methoxy-2-methylindazol-5-yl)-2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]pyridin-3-ol.
What is the SMILES notation for 5-(7-methoxy-2-methylindazol-5-yl)-2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]pyridin-3-ol?
The canonical SMILES for 5-(7-methoxy-2-methylindazol-5-yl)-2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]pyridin-3-ol is COc1cc(-c2cnc(-c3ccc(N4CCCC(C)C4)nn3)c(O)c2)cc2cn(C)nc12.
What is the InChIKey of 5-(7-methoxy-2-methylindazol-5-yl)-2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]pyridin-3-ol?
The InChIKey is UUMKPFMMUSEMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-15-5-4-8-30(13-15)22-7-6-19(26-27-22)24-20(31)10-17(12-25-24)16-9-18-14-29(2)28-23(18)21(11-16)32-3/h6-7,9-12,14-15,31H,4-5,8,13H2,1-3H3.
What are the key properties of 5-(7-methoxy-2-methylindazol-5-yl)-2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]pyridin-3-ol?
5-(7-methoxy-2-methylindazol-5-yl)-2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]pyridin-3-ol has a molecular weight of 430.51 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methoxy-2-methylindazol-5-yl)-2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]pyridin-3-ol is sourced from PubChem (CID 165083380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).