4-chloro-3-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine

C19H23ClN6 — CID 86717277

IUPAC4-chloro-3-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine
SMILESCc1nn(CCN2CCN(C)CC2)c2nnc(-c3ccccc3)c(Cl)c12
InChIInChI=1S/C19H23ClN6/c1-14-16-17(20)18(15-6-4-3-5-7-15)21-22-19(16)26(23-14)13-12-25-10-8-24(2)9-11-25/h3-7H,8-13H2,1-2H3
InChIKeyMEIIAFMIBGDGFF-UHFFFAOYSA-N
MW370.89 g/mol
LogP2.70
Rot. Bonds4

About 4-chloro-3-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine

4-chloro-3-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine (PubChem CID 86717277) has the molecular formula C19H23ClN6 and a molecular weight of 370.89 g/mol. Its IUPAC name is 4-chloro-3-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine.

Molecular Properties

Compound Name4-chloro-3-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine
PubChem CID86717277
Molecular FormulaC19H23ClN6
Molecular Weight370.89 g/mol
Exact Mass370.17
IUPAC Name4-chloro-3-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine
SMILESCc1nn(CCN2CCN(C)CC2)c2nnc(-c3ccccc3)c(Cl)c12
InChIInChI=1S/C19H23ClN6/c1-14-16-17(20)18(15-6-4-3-5-7-15)21-22-19(16)26(23-14)13-12-25-10-8-24(2)9-11-25/h3-7H,8-13H2,1-2H3
InChIKeyMEIIAFMIBGDGFF-UHFFFAOYSA-N
XLogP2.70
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.89
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine?
The IUPAC name of 4-chloro-3-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine (CID 86717277) is 4-chloro-3-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine.
What is the SMILES notation for 4-chloro-3-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine?
The canonical SMILES for 4-chloro-3-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine is Cc1nn(CCN2CCN(C)CC2)c2nnc(-c3ccccc3)c(Cl)c12.
What is the InChIKey of 4-chloro-3-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine?
The InChIKey is MEIIAFMIBGDGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6/c1-14-16-17(20)18(15-6-4-3-5-7-15)21-22-19(16)26(23-14)13-12-25-10-8-24(2)9-11-25/h3-7H,8-13H2,1-2H3.
What are the key properties of 4-chloro-3-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine?
4-chloro-3-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine has a molecular weight of 370.89 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 86717277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).