1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-1-yl]-3-pyridinyl]ethanone

C23H19F2N9O — CID 175985370

About 1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-1-yl]-3-pyridinyl]ethanone

1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-1-yl]-3-pyridinyl]ethanone (PubChem CID 175985370) has the molecular formula C23H19F2N9O and a molecular weight of 475.46 g/mol. Its IUPAC name is 1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-1-yl]-3-pyridinyl]ethanone
• PubChem CID: 175985370
• Molecular Formula: C23H19F2N9O
• Molecular Weight: 475.46 g/mol
• Exact Mass: 475.17
• IUPAC Name: 1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-1-yl]-3-pyridinyl]ethanone
• SMILES: CC(=O)c1ccc(-n2cnc3cnc(Nc4ccc(C)nn4)cc32)nc1-n1nc(C(F)F)cc1C
• InChI: InChI=1S/C23H19F2N9O/c1-12-4-6-19(31-30-12)28-20-9-18-17(10-26-20)27-11-33(18)21-7-5-15(14(3)35)23(29-21)34-13(2)8-16(32-34)22(24)25/h4-11,22H,1-3H3,(H,26,28,31)
• InChIKey: GDERHVQRDUOWKJ-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 116.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.46
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-1-yl]-3-pyridinyl]ethanone?

The IUPAC name of 1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-1-yl]-3-pyridinyl]ethanone (CID 175985370) is 1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-1-yl]-3-pyridinyl]ethanone.

What is the SMILES notation for 1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-1-yl]-3-pyridinyl]ethanone?

The canonical SMILES for 1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-1-yl]-3-pyridinyl]ethanone is CC(=O)c1ccc(-n2cnc3cnc(Nc4ccc(C)nn4)cc32)nc1-n1nc(C(F)F)cc1C.

What is the InChIKey of 1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-1-yl]-3-pyridinyl]ethanone?

The InChIKey is GDERHVQRDUOWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N9O/c1-12-4-6-19(31-30-12)28-20-9-18-17(10-26-20)27-11-33(18)21-7-5-15(14(3)35)23(29-21)34-13(2)8-16(32-34)22(24)25/h4-11,22H,1-3H3,(H,26,28,31).

What are the key properties of 1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-1-yl]-3-pyridinyl]ethanone?

1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 475.46 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 175985370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).