6-methyl-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazine

C26H27N9 — CID 44555060

IUPAC6-methyl-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccc2nnc(Cc3cccc(-c4ncc(-c5cnn(CCN6CCCC6)c5)cn4)c3)n2n1
InChIInChI=1S/C26H27N9/c1-19-7-8-24-30-31-25(35(24)32-19)14-20-5-4-6-21(13-20)26-27-15-22(16-28-26)23-17-29-34(18-23)12-11-33-9-2-3-10-33/h4-8,13,15-18H,2-3,9-12,14H2,1H3
InChIKeyWIXIHJJYDBFDOH-UHFFFAOYSA-N
MW465.57 g/mol
LogP3.44
Rot. Bonds7

About 6-methyl-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazine

6-methyl-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 44555060) has the molecular formula C26H27N9 and a molecular weight of 465.57 g/mol. Its IUPAC name is 6-methyl-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-methyl-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID44555060
Molecular FormulaC26H27N9
Molecular Weight465.57 g/mol
Exact Mass465.24
IUPAC Name6-methyl-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccc2nnc(Cc3cccc(-c4ncc(-c5cnn(CCN6CCCC6)c5)cn4)c3)n2n1
InChIInChI=1S/C26H27N9/c1-19-7-8-24-30-31-25(35(24)32-19)14-20-5-4-6-21(13-20)26-27-15-22(16-28-26)23-17-29-34(18-23)12-11-33-9-2-3-10-33/h4-8,13,15-18H,2-3,9-12,14H2,1H3
InChIKeyWIXIHJJYDBFDOH-UHFFFAOYSA-N
XLogP3.44
TPSA89.92 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-methyl-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-methyl-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 44555060) is 6-methyl-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-methyl-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-methyl-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazine is Cc1ccc2nnc(Cc3cccc(-c4ncc(-c5cnn(CCN6CCCC6)c5)cn4)c3)n2n1.
What is the InChIKey of 6-methyl-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is WIXIHJJYDBFDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N9/c1-19-7-8-24-30-31-25(35(24)32-19)14-20-5-4-6-21(13-20)26-27-15-22(16-28-26)23-17-29-34(18-23)12-11-33-9-2-3-10-33/h4-8,13,15-18H,2-3,9-12,14H2,1H3.
What are the key properties of 6-methyl-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-methyl-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 465.57 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 44555060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).