6-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[[3-methoxy-6-methyl-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide

C20H22FN9O3 — CID 167540910

About 6-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[[3-methoxy-6-methyl-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide

6-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[[3-methoxy-6-methyl-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide (PubChem CID 167540910) has the molecular formula C20H22FN9O3 and a molecular weight of 455.45 g/mol. Its IUPAC name is 6-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[[3-methoxy-6-methyl-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[[3-methoxy-6-methyl-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide
• PubChem CID: 167540910
• Molecular Formula: C20H22FN9O3
• Molecular Weight: 455.45 g/mol
• Exact Mass: 455.18
• IUPAC Name: 6-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[[3-methoxy-6-methyl-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide
• SMILES: CNC(=O)c1nnc(NC(=O)[C@@H]2C[C@@H]2F)cc1Nc1nc(C)cc(-c2cnn(C)n2)c1OC
• InChI: InChI=1S/C20H22FN9O3/c1-9-5-11(14-8-23-30(3)29-14)17(33-4)18(24-9)25-13-7-15(26-19(31)10-6-12(10)21)27-28-16(13)20(32)22-2/h5,7-8,10,12H,6H2,1-4H3,(H,22,32)(H2,24,25,26,27,31)/t10-,12+/m1/s1
• InChIKey: BEGSSRRBHRCSNR-PWSUYJOCSA-N
• XLogP: 1.38
• TPSA: 148.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.45
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[[3-methoxy-6-methyl-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide?

The IUPAC name of 6-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[[3-methoxy-6-methyl-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide (CID 167540910) is 6-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[[3-methoxy-6-methyl-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide.

What is the SMILES notation for 6-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[[3-methoxy-6-methyl-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide?

The canonical SMILES for 6-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[[3-methoxy-6-methyl-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1nnc(NC(=O)[C@@H]2C[C@@H]2F)cc1Nc1nc(C)cc(-c2cnn(C)n2)c1OC.

What is the InChIKey of 6-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[[3-methoxy-6-methyl-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide?

The InChIKey is BEGSSRRBHRCSNR-PWSUYJOCSA-N. The full InChI is InChI=1S/C20H22FN9O3/c1-9-5-11(14-8-23-30(3)29-14)17(33-4)18(24-9)25-13-7-15(26-19(31)10-6-12(10)21)27-28-16(13)20(32)22-2/h5,7-8,10,12H,6H2,1-4H3,(H,22,32)(H2,24,25,26,27,31)/t10-,12+/m1/s1.

What are the key properties of 6-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[[3-methoxy-6-methyl-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide?

6-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[[3-methoxy-6-methyl-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 455.45 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[[3-methoxy-6-methyl-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 167540910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).