N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-5-carboxamide

C30H40F3N9O2 — CID 121373630

About N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-5-carboxamide

N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121373630) has the molecular formula C30H40F3N9O2 and a molecular weight of 615.71 g/mol. Its IUPAC name is N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 121373630
• Molecular Formula: C30H40F3N9O2
• Molecular Weight: 615.71 g/mol
• Exact Mass: 615.33
• IUPAC Name: N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: CNC(=O)N1CCC2C(C1)C(N1CCN(C)c3cc(-c4cnn(C)c4)c(C(F)(F)F)cc31)=NN2C1CCN(C2COC2)CC1
• InChI: InChI=1S/C30H40F3N9O2/c1-34-29(43)40-9-6-25-23(16-40)28(36-42(25)20-4-7-39(8-5-20)21-17-44-18-21)41-11-10-37(2)26-12-22(19-14-35-38(3)15-19)24(13-27(26)41)30(31,32)33/h12-15,20-21,23,25H,4-11,16-18H2,1-3H3,(H,34,43)
• InChIKey: PWDOQGZIEGHJAD-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 84.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	615.71
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 121373630) is N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-5-carboxamide is CNC(=O)N1CCC2C(C1)C(N1CCN(C)c3cc(-c4cnn(C)c4)c(C(F)(F)F)cc31)=NN2C1CCN(C2COC2)CC1.

What is the InChIKey of N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is PWDOQGZIEGHJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40F3N9O2/c1-34-29(43)40-9-6-25-23(16-40)28(36-42(25)20-4-7-39(8-5-20)21-17-44-18-21)41-11-10-37(2)26-12-22(19-14-35-38(3)15-19)24(13-27(26)41)30(31,32)33/h12-15,20-21,23,25H,4-11,16-18H2,1-3H3,(H,34,43).

What are the key properties of N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-5-carboxamide?

N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 615.71 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121373630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).