1-(4-chloro-2-fluorophenyl)-N-(4-fluoro-3-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide

C21H14ClF2N5O2 — CID 177048258

IUPAC1-(4-chloro-2-fluorophenyl)-N-(4-fluoro-3-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
SMILESCc1cc2c(nc1C)c(=O)c(C(=O)Nc1cnccc1F)nn2-c1ccc(Cl)cc1F
InChIInChI=1S/C21H14ClF2N5O2/c1-10-7-17-18(26-11(10)2)20(30)19(21(31)27-15-9-25-6-5-13(15)23)28-29(17)16-4-3-12(22)8-14(16)24/h3-9H,1-2H3,(H,27,31)
InChIKeyOMKLFOIQMRYMPF-UHFFFAOYSA-N
MW441.83 g/mol
LogP3.98
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-N-(4-fluoro-3-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide

1-(4-chloro-2-fluorophenyl)-N-(4-fluoro-3-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide (PubChem CID 177048258) has the molecular formula C21H14ClF2N5O2 and a molecular weight of 441.83 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-(4-fluoro-3-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-(4-fluoro-3-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
PubChem CID177048258
Molecular FormulaC21H14ClF2N5O2
Molecular Weight441.83 g/mol
Exact Mass441.08
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-(4-fluoro-3-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
SMILESCc1cc2c(nc1C)c(=O)c(C(=O)Nc1cnccc1F)nn2-c1ccc(Cl)cc1F
InChIInChI=1S/C21H14ClF2N5O2/c1-10-7-17-18(26-11(10)2)20(30)19(21(31)27-15-9-25-6-5-13(15)23)28-29(17)16-4-3-12(22)8-14(16)24/h3-9H,1-2H3,(H,27,31)
InChIKeyOMKLFOIQMRYMPF-UHFFFAOYSA-N
XLogP3.98
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.83
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-(4-fluoro-3-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-(4-fluoro-3-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide (CID 177048258) is 1-(4-chloro-2-fluorophenyl)-N-(4-fluoro-3-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-(4-fluoro-3-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-(4-fluoro-3-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide is Cc1cc2c(nc1C)c(=O)c(C(=O)Nc1cnccc1F)nn2-c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-(4-fluoro-3-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide?
The InChIKey is OMKLFOIQMRYMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF2N5O2/c1-10-7-17-18(26-11(10)2)20(30)19(21(31)27-15-9-25-6-5-13(15)23)28-29(17)16-4-3-12(22)8-14(16)24/h3-9H,1-2H3,(H,27,31).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-(4-fluoro-3-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide?
1-(4-chloro-2-fluorophenyl)-N-(4-fluoro-3-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide has a molecular weight of 441.83 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-(4-fluoro-3-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide is sourced from PubChem (CID 177048258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).