1-(4-chloro-2-fluorophenyl)-4-(2-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine

C18H17ClFN5 — CID 68748495

IUPAC1-(4-chloro-2-fluorophenyl)-4-(2-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine
SMILESCC1CNCCN1c1nnc(-c2ccc(Cl)cc2F)c2ccncc12
InChIInChI=1S/C18H17ClFN5/c1-11-9-22-6-7-25(11)18-15-10-21-5-4-13(15)17(23-24-18)14-3-2-12(19)8-16(14)20/h2-5,8,10-11,22H,6-7,9H2,1H3
InChIKeySKTMSJLORVIHEW-UHFFFAOYSA-N
MW357.82 g/mol
LogP3.28
Rot. Bonds2

About 1-(4-chloro-2-fluorophenyl)-4-(2-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine

1-(4-chloro-2-fluorophenyl)-4-(2-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine (PubChem CID 68748495) has the molecular formula C18H17ClFN5 and a molecular weight of 357.82 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-4-(2-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-4-(2-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine
PubChem CID68748495
Molecular FormulaC18H17ClFN5
Molecular Weight357.82 g/mol
Exact Mass357.12
IUPAC Name1-(4-chloro-2-fluorophenyl)-4-(2-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine
SMILESCC1CNCCN1c1nnc(-c2ccc(Cl)cc2F)c2ccncc12
InChIInChI=1S/C18H17ClFN5/c1-11-9-22-6-7-25(11)18-15-10-21-5-4-13(15)17(23-24-18)14-3-2-12(19)8-16(14)20/h2-5,8,10-11,22H,6-7,9H2,1H3
InChIKeySKTMSJLORVIHEW-UHFFFAOYSA-N
XLogP3.28
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-4-(2-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-4-(2-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine (CID 68748495) is 1-(4-chloro-2-fluorophenyl)-4-(2-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-4-(2-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-4-(2-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine is CC1CNCCN1c1nnc(-c2ccc(Cl)cc2F)c2ccncc12.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-4-(2-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine?
The InChIKey is SKTMSJLORVIHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN5/c1-11-9-22-6-7-25(11)18-15-10-21-5-4-13(15)17(23-24-18)14-3-2-12(19)8-16(14)20/h2-5,8,10-11,22H,6-7,9H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-4-(2-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine?
1-(4-chloro-2-fluorophenyl)-4-(2-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine has a molecular weight of 357.82 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-4-(2-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine is sourced from PubChem (CID 68748495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).