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

C29H35F2N7O4S — CID 67203243

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

(2R)-N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(dimethylamino)phenyl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 67203243) has the molecular formula C29H35F2N7O4S and a molecular weight of 615.71 g/mol. Its IUPAC name is (2R)-N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(dimethylamino)phenyl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(dimethylamino)phenyl]-1-methylpyrrolidine-2-carboxamide
• PubChem CID: 67203243
• Molecular Formula: C29H35F2N7O4S
• Molecular Weight: 615.71 g/mol
• Exact Mass: 615.24
• IUPAC Name: (2R)-N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(dimethylamino)phenyl]-1-methylpyrrolidine-2-carboxamide
• SMILES: CN(C)c1ccc(C(=O)Nc2n[nH]c3c2CN(S(=O)(=O)c2cc(F)cc(F)c2)CC3(C)C)c(NC(=O)[C@H]2CCCN2C)c1
• InChI: InChI=1S/C29H35F2N7O4S/c1-29(2)16-38(43(41,42)20-12-17(30)11-18(31)13-20)15-22-25(29)34-35-26(22)33-27(39)21-9-8-19(36(3)4)14-23(21)32-28(40)24-7-6-10-37(24)5/h8-9,11-14,24H,6-7,10,15-16H2,1-5H3,(H,32,40)(H2,33,34,35,39)/t24-/m1/s1
• InChIKey: SQJFQVPMQAYDLZ-XMMPIXPASA-N
• XLogP: 3.52
• TPSA: 130.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	615.71
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2R)-N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(dimethylamino)phenyl]-1-methylpyrrolidine-2-carboxamide (CID 67203243) is (2R)-N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(dimethylamino)phenyl]-1-methylpyrrolidine-2-carboxamide.

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

The canonical SMILES for (2R)-N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(dimethylamino)phenyl]-1-methylpyrrolidine-2-carboxamide is CN(C)c1ccc(C(=O)Nc2n[nH]c3c2CN(S(=O)(=O)c2cc(F)cc(F)c2)CC3(C)C)c(NC(=O)[C@H]2CCCN2C)c1.

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

The InChIKey is SQJFQVPMQAYDLZ-XMMPIXPASA-N. The full InChI is InChI=1S/C29H35F2N7O4S/c1-29(2)16-38(43(41,42)20-12-17(30)11-18(31)13-20)15-22-25(29)34-35-26(22)33-27(39)21-9-8-19(36(3)4)14-23(21)32-28(40)24-7-6-10-37(24)5/h8-9,11-14,24H,6-7,10,15-16H2,1-5H3,(H,32,40)(H2,33,34,35,39)/t24-/m1/s1.

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

(2R)-N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(dimethylamino)phenyl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 615.71 g/mol, XLogP of 3.52, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(dimethylamino)phenyl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 67203243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).