(7R)-2,2-difluoro-N-[(2S,4R)-7-methoxy-2-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-chromen-4-yl]-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide

C25H21F2N3O7 — CID 140766986

About (7R)-2,2-difluoro-N-[(2S,4R)-7-methoxy-2-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-chromen-4-yl]-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide

(7R)-2,2-difluoro-N-[(2S,4R)-7-methoxy-2-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-chromen-4-yl]-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide (PubChem CID 140766986) has the molecular formula C25H21F2N3O7 and a molecular weight of 513.45 g/mol. Its IUPAC name is (7R)-2,2-difluoro-N-[(2S,4R)-7-methoxy-2-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-chromen-4-yl]-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide.

Molecular Properties

• Compound Name: (7R)-2,2-difluoro-N-[(2S,4R)-7-methoxy-2-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-chromen-4-yl]-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide
• PubChem CID: 140766986
• Molecular Formula: C25H21F2N3O7
• Molecular Weight: 513.45 g/mol
• Exact Mass: 513.13
• IUPAC Name: (7R)-2,2-difluoro-N-[(2S,4R)-7-methoxy-2-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-chromen-4-yl]-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide
• SMILES: COc1ccc2c(c1)O[C@H](c1ccc(=O)[nH]n1)C[C@H]2NC(=O)[C@@]1(C)COc2cc3c(cc21)OC(F)(F)O3
• InChI: InChI=1S/C25H21F2N3O7/c1-24(11-34-18-10-21-20(8-14(18)24)36-25(26,27)37-21)23(32)28-16-9-19(15-5-6-22(31)30-29-15)35-17-7-12(33-2)3-4-13(16)17/h3-8,10,16,19H,9,11H2,1-2H3,(H,28,32)(H,30,31)/t16-,19+,24+/m1/s1
• InChIKey: VOPKOFYQIQOVID-MTJJIEKYSA-N
• XLogP: 3.13
• TPSA: 121.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.45
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (7R)-2,2-difluoro-N-[(2S,4R)-7-methoxy-2-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-chromen-4-yl]-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide?

The IUPAC name of (7R)-2,2-difluoro-N-[(2S,4R)-7-methoxy-2-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-chromen-4-yl]-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide (CID 140766986) is (7R)-2,2-difluoro-N-[(2S,4R)-7-methoxy-2-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-chromen-4-yl]-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide.

What is the SMILES notation for (7R)-2,2-difluoro-N-[(2S,4R)-7-methoxy-2-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-chromen-4-yl]-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide?

The canonical SMILES for (7R)-2,2-difluoro-N-[(2S,4R)-7-methoxy-2-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-chromen-4-yl]-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide is COc1ccc2c(c1)O[C@H](c1ccc(=O)[nH]n1)C[C@H]2NC(=O)[C@@]1(C)COc2cc3c(cc21)OC(F)(F)O3.

What is the InChIKey of (7R)-2,2-difluoro-N-[(2S,4R)-7-methoxy-2-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-chromen-4-yl]-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide?

The InChIKey is VOPKOFYQIQOVID-MTJJIEKYSA-N. The full InChI is InChI=1S/C25H21F2N3O7/c1-24(11-34-18-10-21-20(8-14(18)24)36-25(26,27)37-21)23(32)28-16-9-19(15-5-6-22(31)30-29-15)35-17-7-12(33-2)3-4-13(16)17/h3-8,10,16,19H,9,11H2,1-2H3,(H,28,32)(H,30,31)/t16-,19+,24+/m1/s1.

What are the key properties of (7R)-2,2-difluoro-N-[(2S,4R)-7-methoxy-2-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-chromen-4-yl]-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide?

(7R)-2,2-difluoro-N-[(2S,4R)-7-methoxy-2-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-chromen-4-yl]-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide has a molecular weight of 513.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-2,2-difluoro-N-[(2S,4R)-7-methoxy-2-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-chromen-4-yl]-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide is sourced from PubChem (CID 140766986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).