6-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridazin-3-amine

C23H30N6 — CID 112818323

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridazin-3-amine
SMILESCc1cc(C)n(-c2ccc(NCc3ccc(CN4CCC(C)CC4)cc3)nn2)n1
InChIInChI=1S/C23H30N6/c1-17-10-12-28(13-11-17)16-21-6-4-20(5-7-21)15-24-22-8-9-23(26-25-22)29-19(3)14-18(2)27-29/h4-9,14,17H,10-13,15-16H2,1-3H3,(H,24,25)
InChIKeyOGUCBSVEFCQIID-UHFFFAOYSA-N
MW390.54 g/mol
LogP4.12
Rot. Bonds6

About 6-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridazin-3-amine

6-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridazin-3-amine (PubChem CID 112818323) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridazin-3-amine
PubChem CID112818323
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridazin-3-amine
SMILESCc1cc(C)n(-c2ccc(NCc3ccc(CN4CCC(C)CC4)cc3)nn2)n1
InChIInChI=1S/C23H30N6/c1-17-10-12-28(13-11-17)16-21-6-4-20(5-7-21)15-24-22-8-9-23(26-25-22)29-19(3)14-18(2)27-29/h4-9,14,17H,10-13,15-16H2,1-3H3,(H,24,25)
InChIKeyOGUCBSVEFCQIID-UHFFFAOYSA-N
XLogP4.12
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridazin-3-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridazin-3-amine (CID 112818323) is 6-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridazin-3-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridazin-3-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridazin-3-amine is Cc1cc(C)n(-c2ccc(NCc3ccc(CN4CCC(C)CC4)cc3)nn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridazin-3-amine?
The InChIKey is OGUCBSVEFCQIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6/c1-17-10-12-28(13-11-17)16-21-6-4-20(5-7-21)15-24-22-8-9-23(26-25-22)29-19(3)14-18(2)27-29/h4-9,14,17H,10-13,15-16H2,1-3H3,(H,24,25).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridazin-3-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridazin-3-amine has a molecular weight of 390.54 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridazin-3-amine is sourced from PubChem (CID 112818323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).