1-N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-4-morpholin-4-ylbenzene-1,2-dicarboxamide

C26H28F2N6O5S — CID 67493787

About 1-N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-4-morpholin-4-ylbenzene-1,2-dicarboxamide

1-N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-4-morpholin-4-ylbenzene-1,2-dicarboxamide (PubChem CID 67493787) has the molecular formula C26H28F2N6O5S and a molecular weight of 574.61 g/mol. Its IUPAC name is 1-N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-4-morpholin-4-ylbenzene-1,2-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-4-morpholin-4-ylbenzene-1,2-dicarboxamide
• PubChem CID: 67493787
• Molecular Formula: C26H28F2N6O5S
• Molecular Weight: 574.61 g/mol
• Exact Mass: 574.18
• IUPAC Name: 1-N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-4-morpholin-4-ylbenzene-1,2-dicarboxamide
• SMILES: CC1(C)CN(S(=O)(=O)c2cc(F)cc(F)c2)Cc2c(NC(=O)c3ccc(N4CCOCC4)cc3C(N)=O)n[nH]c21
• InChI: InChI=1S/C26H28F2N6O5S/c1-26(2)14-34(40(37,38)18-10-15(27)9-16(28)11-18)13-21-22(26)31-32-24(21)30-25(36)19-4-3-17(12-20(19)23(29)35)33-5-7-39-8-6-33/h3-4,9-12H,5-8,13-14H2,1-2H3,(H2,29,35)(H2,30,31,32,36)
• InChIKey: JZDNLHVIWCKANP-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 150.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.61
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-4-morpholin-4-ylbenzene-1,2-dicarboxamide?

The IUPAC name of 1-N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-4-morpholin-4-ylbenzene-1,2-dicarboxamide (CID 67493787) is 1-N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-4-morpholin-4-ylbenzene-1,2-dicarboxamide.

What is the SMILES notation for 1-N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-4-morpholin-4-ylbenzene-1,2-dicarboxamide?

The canonical SMILES for 1-N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-4-morpholin-4-ylbenzene-1,2-dicarboxamide is CC1(C)CN(S(=O)(=O)c2cc(F)cc(F)c2)Cc2c(NC(=O)c3ccc(N4CCOCC4)cc3C(N)=O)n[nH]c21.

What is the InChIKey of 1-N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-4-morpholin-4-ylbenzene-1,2-dicarboxamide?

The InChIKey is JZDNLHVIWCKANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N6O5S/c1-26(2)14-34(40(37,38)18-10-15(27)9-16(28)11-18)13-21-22(26)31-32-24(21)30-25(36)19-4-3-17(12-20(19)23(29)35)33-5-7-39-8-6-33/h3-4,9-12H,5-8,13-14H2,1-2H3,(H2,29,35)(H2,30,31,32,36).

What are the key properties of 1-N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-4-morpholin-4-ylbenzene-1,2-dicarboxamide?

1-N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-4-morpholin-4-ylbenzene-1,2-dicarboxamide has a molecular weight of 574.61 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-4-morpholin-4-ylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 67493787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).