N-[5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide

C30H34F2N6O3 — CID 121372850

About N-[5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide

N-[5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide (PubChem CID 121372850) has the molecular formula C30H34F2N6O3 and a molecular weight of 564.64 g/mol. Its IUPAC name is N-[5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide
• PubChem CID: 121372850
• Molecular Formula: C30H34F2N6O3
• Molecular Weight: 564.64 g/mol
• Exact Mass: 564.27
• IUPAC Name: N-[5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1ccc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)cn1
• InChI: InChI=1S/C30H34F2N6O3/c1-18(39)34-28-6-5-21(16-33-28)23-14-20-4-3-10-37(27(20)15-24(23)29(31)32)30-25-17-36(19(2)40)11-7-26(25)38(35-30)22-8-12-41-13-9-22/h5-6,14-16,22,29H,3-4,7-13,17H2,1-2H3,(H,33,34,39)
• InChIKey: ONOSWYDVRYCHNZ-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 92.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.64
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide?

The IUPAC name of N-[5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide (CID 121372850) is N-[5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide?

The canonical SMILES for N-[5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)cn1.

What is the InChIKey of N-[5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide?

The InChIKey is ONOSWYDVRYCHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F2N6O3/c1-18(39)34-28-6-5-21(16-33-28)23-14-20-4-3-10-37(27(20)15-24(23)29(31)32)30-25-17-36(19(2)40)11-7-26(25)38(35-30)22-8-12-41-13-9-22/h5-6,14-16,22,29H,3-4,7-13,17H2,1-2H3,(H,33,34,39).

What are the key properties of N-[5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide?

N-[5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide has a molecular weight of 564.64 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 121372850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).