N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(4-methylpiperazin-1-yl)phenyl]morpholine-4-carboxamide

C31H38F2N8O5S — CID 67201836

About N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(4-methylpiperazin-1-yl)phenyl]morpholine-4-carboxamide

N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(4-methylpiperazin-1-yl)phenyl]morpholine-4-carboxamide (PubChem CID 67201836) has the molecular formula C31H38F2N8O5S and a molecular weight of 672.76 g/mol. Its IUPAC name is N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(4-methylpiperazin-1-yl)phenyl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(4-methylpiperazin-1-yl)phenyl]morpholine-4-carboxamide
• PubChem CID: 67201836
• Molecular Formula: C31H38F2N8O5S
• Molecular Weight: 672.76 g/mol
• Exact Mass: 672.27
• IUPAC Name: N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(4-methylpiperazin-1-yl)phenyl]morpholine-4-carboxamide
• SMILES: CN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(S(=O)(=O)c3cc(F)cc(F)c3)CC4(C)C)c(NC(=O)N3CCOCC3)c2)CC1
• InChI: InChI=1S/C31H38F2N8O5S/c1-31(2)19-41(47(44,45)23-15-20(32)14-21(33)16-23)18-25-27(31)36-37-28(25)35-29(42)24-5-4-22(39-8-6-38(3)7-9-39)17-26(24)34-30(43)40-10-12-46-13-11-40/h4-5,14-17H,6-13,18-19H2,1-3H3,(H,34,43)(H2,35,36,37,42)
• InChIKey: GANHHWMMPAEFIU-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 143.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	672.76
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(4-methylpiperazin-1-yl)phenyl]morpholine-4-carboxamide?

The IUPAC name of N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(4-methylpiperazin-1-yl)phenyl]morpholine-4-carboxamide (CID 67201836) is N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(4-methylpiperazin-1-yl)phenyl]morpholine-4-carboxamide.

What is the SMILES notation for N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(4-methylpiperazin-1-yl)phenyl]morpholine-4-carboxamide?

The canonical SMILES for N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(4-methylpiperazin-1-yl)phenyl]morpholine-4-carboxamide is CN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(S(=O)(=O)c3cc(F)cc(F)c3)CC4(C)C)c(NC(=O)N3CCOCC3)c2)CC1.

What is the InChIKey of N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(4-methylpiperazin-1-yl)phenyl]morpholine-4-carboxamide?

The InChIKey is GANHHWMMPAEFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38F2N8O5S/c1-31(2)19-41(47(44,45)23-15-20(32)14-21(33)16-23)18-25-27(31)36-37-28(25)35-29(42)24-5-4-22(39-8-6-38(3)7-9-39)17-26(24)34-30(43)40-10-12-46-13-11-40/h4-5,14-17H,6-13,18-19H2,1-3H3,(H,34,43)(H2,35,36,37,42).

What are the key properties of N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(4-methylpiperazin-1-yl)phenyl]morpholine-4-carboxamide?

N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(4-methylpiperazin-1-yl)phenyl]morpholine-4-carboxamide has a molecular weight of 672.76 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(4-methylpiperazin-1-yl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 67201836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).