N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-2H-pyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-2-piperidin-1-ylacetamide

C29H33F2N5O4S — CID 58440598

About N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-2H-pyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-2-piperidin-1-ylacetamide

N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-2H-pyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-2-piperidin-1-ylacetamide (PubChem CID 58440598) has the molecular formula C29H33F2N5O4S and a molecular weight of 585.68 g/mol. Its IUPAC name is N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-2H-pyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-2-piperidin-1-ylacetamide.

Molecular Properties

• Compound Name: N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-2H-pyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-2-piperidin-1-ylacetamide
• PubChem CID: 58440598
• Molecular Formula: C29H33F2N5O4S
• Molecular Weight: 585.68 g/mol
• Exact Mass: 585.22
• IUPAC Name: N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-2H-pyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-2-piperidin-1-ylacetamide
• SMILES: CC1(C)CN(S(=O)(=O)c2cc(F)cc(F)c2)Cc2c1n[nH]c2CC(=O)c1ccccc1NC(=O)CN1CCCCC1
• InChI: InChI=1S/C29H33F2N5O4S/c1-29(2)18-36(41(39,40)21-13-19(30)12-20(31)14-21)16-23-25(33-34-28(23)29)15-26(37)22-8-4-5-9-24(22)32-27(38)17-35-10-6-3-7-11-35/h4-5,8-9,12-14H,3,6-7,10-11,15-18H2,1-2H3,(H,32,38)(H,33,34)
• InChIKey: OTRNHCZIPHCCOP-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 115.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.68
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-2H-pyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-2-piperidin-1-ylacetamide (CID 58440598) is N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-2H-pyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-2-piperidin-1-ylacetamide.

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

The canonical SMILES for N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-2H-pyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-2-piperidin-1-ylacetamide is CC1(C)CN(S(=O)(=O)c2cc(F)cc(F)c2)Cc2c1n[nH]c2CC(=O)c1ccccc1NC(=O)CN1CCCCC1.

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

The InChIKey is OTRNHCZIPHCCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F2N5O4S/c1-29(2)18-36(41(39,40)21-13-19(30)12-20(31)14-21)16-23-25(33-34-28(23)29)15-26(37)22-8-4-5-9-24(22)32-27(38)17-35-10-6-3-7-11-35/h4-5,8-9,12-14H,3,6-7,10-11,15-18H2,1-2H3,(H,32,38)(H,33,34).

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

N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-2H-pyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-2-piperidin-1-ylacetamide has a molecular weight of 585.68 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-2H-pyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 58440598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).