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

C31H37F2N7O5S — CID 67203408

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

N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-morpholin-4-ylphenyl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 67203408) has the molecular formula C31H37F2N7O5S and a molecular weight of 657.74 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-morpholin-4-ylphenyl]-1-methylpyrrolidine-2-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-morpholin-4-ylphenyl]-1-methylpyrrolidine-2-carboxamide
• PubChem CID: 67203408
• Molecular Formula: C31H37F2N7O5S
• Molecular Weight: 657.74 g/mol
• Exact Mass: 657.25
• 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-morpholin-4-ylphenyl]-1-methylpyrrolidine-2-carboxamide
• SMILES: CN1CCCC1C(=O)Nc1cc(N2CCOCC2)ccc1C(=O)Nc1n[nH]c2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2(C)C
• InChI: InChI=1S/C31H37F2N7O5S/c1-31(2)18-40(46(43,44)22-14-19(32)13-20(33)15-22)17-24-27(31)36-37-28(24)35-29(41)23-7-6-21(39-9-11-45-12-10-39)16-25(23)34-30(42)26-5-4-8-38(26)3/h6-7,13-16,26H,4-5,8-12,17-18H2,1-3H3,(H,34,42)(H2,35,36,37,41)
• InChIKey: ZYSFQIQEGGIGLH-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 139.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	657.74
LogP ≤ 5	3.29
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-morpholin-4-ylphenyl]-1-methylpyrrolidine-2-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-morpholin-4-ylphenyl]-1-methylpyrrolidine-2-carboxamide (CID 67203408) is N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-morpholin-4-ylphenyl]-1-methylpyrrolidine-2-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-morpholin-4-ylphenyl]-1-methylpyrrolidine-2-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-morpholin-4-ylphenyl]-1-methylpyrrolidine-2-carboxamide is CN1CCCC1C(=O)Nc1cc(N2CCOCC2)ccc1C(=O)Nc1n[nH]c2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2(C)C.

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-morpholin-4-ylphenyl]-1-methylpyrrolidine-2-carboxamide?

The InChIKey is ZYSFQIQEGGIGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37F2N7O5S/c1-31(2)18-40(46(43,44)22-14-19(32)13-20(33)15-22)17-24-27(31)36-37-28(24)35-29(41)23-7-6-21(39-9-11-45-12-10-39)16-25(23)34-30(42)26-5-4-8-38(26)3/h6-7,13-16,26H,4-5,8-12,17-18H2,1-3H3,(H,34,42)(H2,35,36,37,41).

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-morpholin-4-ylphenyl]-1-methylpyrrolidine-2-carboxamide?

N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-morpholin-4-ylphenyl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 657.74 g/mol, XLogP of 3.29, 7 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-morpholin-4-ylphenyl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 67203408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).