6-(4-chlorophenyl)-N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide

C25H19ClN6O2 — CID 175278175

IUPAC6-(4-chlorophenyl)-N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
SMILESCn1cc(-n2nc(-c3ccc(Cl)cc3)cc(C(=O)NC3CCc4cc(C#N)ccc43)c2=O)cn1
InChIInChI=1S/C25H19ClN6O2/c1-31-14-19(13-28-31)32-25(34)21(11-23(30-32)16-3-6-18(26)7-4-16)24(33)29-22-9-5-17-10-15(12-27)2-8-20(17)22/h2-4,6-8,10-11,13-14,22H,5,9H2,1H3,(H,29,33)
InChIKeyHJPGVBKGNDMGTJ-UHFFFAOYSA-N
MW470.92 g/mol
LogP3.58
Rot. Bonds4

About 6-(4-chlorophenyl)-N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide

6-(4-chlorophenyl)-N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide (PubChem CID 175278175) has the molecular formula C25H19ClN6O2 and a molecular weight of 470.92 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
PubChem CID175278175
Molecular FormulaC25H19ClN6O2
Molecular Weight470.92 g/mol
Exact Mass470.13
IUPAC Name6-(4-chlorophenyl)-N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
SMILESCn1cc(-n2nc(-c3ccc(Cl)cc3)cc(C(=O)NC3CCc4cc(C#N)ccc43)c2=O)cn1
InChIInChI=1S/C25H19ClN6O2/c1-31-14-19(13-28-31)32-25(34)21(11-23(30-32)16-3-6-18(26)7-4-16)24(33)29-22-9-5-17-10-15(12-27)2-8-20(17)22/h2-4,6-8,10-11,13-14,22H,5,9H2,1H3,(H,29,33)
InChIKeyHJPGVBKGNDMGTJ-UHFFFAOYSA-N
XLogP3.58
TPSA105.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.92
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide (CID 175278175) is 6-(4-chlorophenyl)-N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide is Cn1cc(-n2nc(-c3ccc(Cl)cc3)cc(C(=O)NC3CCc4cc(C#N)ccc43)c2=O)cn1.
What is the InChIKey of 6-(4-chlorophenyl)-N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?
The InChIKey is HJPGVBKGNDMGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN6O2/c1-31-14-19(13-28-31)32-25(34)21(11-23(30-32)16-3-6-18(26)7-4-16)24(33)29-22-9-5-17-10-15(12-27)2-8-20(17)22/h2-4,6-8,10-11,13-14,22H,5,9H2,1H3,(H,29,33).
What are the key properties of 6-(4-chlorophenyl)-N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?
6-(4-chlorophenyl)-N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide has a molecular weight of 470.92 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 175278175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).