N-cyclopropyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide

C20H19FN6O3S — CID 75201912

IUPACN-cyclopropyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide
SMILESCS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)nnc1C(=O)NC1CC1
InChIInChI=1S/C20H19FN6O3S/c1-31(29,30)16-5-3-2-4-14(16)24-15-10-18(25-17-9-6-12(21)11-22-17)26-27-19(15)20(28)23-13-7-8-13/h2-6,9-11,13H,7-8H2,1H3,(H,23,28)(H2,22,24,25,26)
InChIKeyXNRAGLFURZEUPQ-UHFFFAOYSA-N
MW442.48 g/mol
LogP2.79
Rot. Bonds7

About N-cyclopropyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide

N-cyclopropyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide (PubChem CID 75201912) has the molecular formula C20H19FN6O3S and a molecular weight of 442.48 g/mol. Its IUPAC name is N-cyclopropyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide
PubChem CID75201912
Molecular FormulaC20H19FN6O3S
Molecular Weight442.48 g/mol
Exact Mass442.12
IUPAC NameN-cyclopropyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide
SMILESCS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)nnc1C(=O)NC1CC1
InChIInChI=1S/C20H19FN6O3S/c1-31(29,30)16-5-3-2-4-14(16)24-15-10-18(25-17-9-6-12(21)11-22-17)26-27-19(15)20(28)23-13-7-8-13/h2-6,9-11,13H,7-8H2,1H3,(H,23,28)(H2,22,24,25,26)
InChIKeyXNRAGLFURZEUPQ-UHFFFAOYSA-N
XLogP2.79
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide (CID 75201912) is N-cyclopropyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide is CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)nnc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide?
The InChIKey is XNRAGLFURZEUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O3S/c1-31(29,30)16-5-3-2-4-14(16)24-15-10-18(25-17-9-6-12(21)11-22-17)26-27-19(15)20(28)23-13-7-8-13/h2-6,9-11,13H,7-8H2,1H3,(H,23,28)(H2,22,24,25,26).
What are the key properties of N-cyclopropyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide?
N-cyclopropyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 75201912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).