6-(cyclopropanecarbonylamino)-4-[3-[1-[(1R,2R)-2-(difluoromethoxy)cyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridazine-3-carboxamide

C25H27F2N7O4 — CID 170965686

About 6-(cyclopropanecarbonylamino)-4-[3-[1-[(1R,2R)-2-(difluoromethoxy)cyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[3-[1-[(1R,2R)-2-(difluoromethoxy)cyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridazine-3-carboxamide (PubChem CID 170965686) has the molecular formula C25H27F2N7O4 and a molecular weight of 527.53 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[3-[1-[(1R,2R)-2-(difluoromethoxy)cyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclopropanecarbonylamino)-4-[3-[1-[(1R,2R)-2-(difluoromethoxy)cyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridazine-3-carboxamide
• PubChem CID: 170965686
• Molecular Formula: C25H27F2N7O4
• Molecular Weight: 527.53 g/mol
• Exact Mass: 527.21
• IUPAC Name: 6-(cyclopropanecarbonylamino)-4-[3-[1-[(1R,2R)-2-(difluoromethoxy)cyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridazine-3-carboxamide
• SMILES: COc1c(Nc2cc(NC(=O)C3CC3)nnc2C(N)=O)cccc1-c1cnn([C@@H]2CCC[C@H]2OC(F)F)c1
• InChI: InChI=1S/C25H27F2N7O4/c1-37-22-15(14-11-29-34(12-14)18-6-3-7-19(18)38-25(26)27)4-2-5-16(22)30-17-10-20(31-24(36)13-8-9-13)32-33-21(17)23(28)35/h2,4-5,10-13,18-19,25H,3,6-9H2,1H3,(H2,28,35)(H2,30,31,32,36)/t18-,19-/m1/s1
• InChIKey: KUFOEWFPYNKGKW-RTBURBONSA-N
• XLogP: 3.87
• TPSA: 146.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.53
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[3-[1-[(1R,2R)-2-(difluoromethoxy)cyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridazine-3-carboxamide?

The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[3-[1-[(1R,2R)-2-(difluoromethoxy)cyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridazine-3-carboxamide (CID 170965686) is 6-(cyclopropanecarbonylamino)-4-[3-[1-[(1R,2R)-2-(difluoromethoxy)cyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridazine-3-carboxamide.

What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[3-[1-[(1R,2R)-2-(difluoromethoxy)cyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridazine-3-carboxamide?

The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[3-[1-[(1R,2R)-2-(difluoromethoxy)cyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridazine-3-carboxamide is COc1c(Nc2cc(NC(=O)C3CC3)nnc2C(N)=O)cccc1-c1cnn([C@@H]2CCC[C@H]2OC(F)F)c1.

What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[3-[1-[(1R,2R)-2-(difluoromethoxy)cyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridazine-3-carboxamide?

The InChIKey is KUFOEWFPYNKGKW-RTBURBONSA-N. The full InChI is InChI=1S/C25H27F2N7O4/c1-37-22-15(14-11-29-34(12-14)18-6-3-7-19(18)38-25(26)27)4-2-5-16(22)30-17-10-20(31-24(36)13-8-9-13)32-33-21(17)23(28)35/h2,4-5,10-13,18-19,25H,3,6-9H2,1H3,(H2,28,35)(H2,30,31,32,36)/t18-,19-/m1/s1.

What are the key properties of 6-(cyclopropanecarbonylamino)-4-[3-[1-[(1R,2R)-2-(difluoromethoxy)cyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridazine-3-carboxamide?

6-(cyclopropanecarbonylamino)-4-[3-[1-[(1R,2R)-2-(difluoromethoxy)cyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridazine-3-carboxamide has a molecular weight of 527.53 g/mol, XLogP of 3.87, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropanecarbonylamino)-4-[3-[1-[(1R,2R)-2-(difluoromethoxy)cyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridazine-3-carboxamide is sourced from PubChem (CID 170965686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).