N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide

C23H23F3N6O2 — CID 70817239

About N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide

N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (PubChem CID 70817239) has the molecular formula C23H23F3N6O2 and a molecular weight of 472.47 g/mol. Its IUPAC name is N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
• PubChem CID: 70817239
• Molecular Formula: C23H23F3N6O2
• Molecular Weight: 472.47 g/mol
• Exact Mass: 472.18
• IUPAC Name: N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
• SMILES: Cc1n[nH]c(C)c1[C@H](C)NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1
• InChI: InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m0/s1
• InChIKey: KNSSBXCHRPNPDS-LBPRGKRZSA-N
• XLogP: 4.25
• TPSA: 97.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.47
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?

The IUPAC name of N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (CID 70817239) is N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide.

What is the SMILES notation for N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?

The canonical SMILES for N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is Cc1n[nH]c(C)c1[C@H](C)NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1.

What is the InChIKey of N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?

The InChIKey is KNSSBXCHRPNPDS-LBPRGKRZSA-N. The full InChI is InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m0/s1.

What are the key properties of N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?

N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide has a molecular weight of 472.47 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is sourced from PubChem (CID 70817239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).