2-[1-methyl-3-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide

C23H20F3N5O2 — CID 70818984

IUPAC2-[1-methyl-3-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccn3)nn(C)c2n1)c1ccccc1
InChIInChI=1S/C23H20F3N5O2/c1-14(15-8-4-3-5-9-15)28-18(32)13-33-19-12-16(23(24,25)26)20-21(17-10-6-7-11-27-17)30-31(2)22(20)29-19/h3-12,14H,13H2,1-2H3,(H,28,32)/t14-/m0/s1
InChIKeyNAFUUSQAXBQFMU-AWEZNQCLSA-N
MW455.44 g/mol
LogP4.31
Rot. Bonds6

About 2-[1-methyl-3-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide

2-[1-methyl-3-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 70818984) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is 2-[1-methyl-3-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[1-methyl-3-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide
PubChem CID70818984
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC Name2-[1-methyl-3-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccn3)nn(C)c2n1)c1ccccc1
InChIInChI=1S/C23H20F3N5O2/c1-14(15-8-4-3-5-9-15)28-18(32)13-33-19-12-16(23(24,25)26)20-21(17-10-6-7-11-27-17)30-31(2)22(20)29-19/h3-12,14H,13H2,1-2H3,(H,28,32)/t14-/m0/s1
InChIKeyNAFUUSQAXBQFMU-AWEZNQCLSA-N
XLogP4.31
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[1-methyl-3-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide (CID 70818984) is 2-[1-methyl-3-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[1-methyl-3-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[1-methyl-3-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccn3)nn(C)c2n1)c1ccccc1.
What is the InChIKey of 2-[1-methyl-3-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is NAFUUSQAXBQFMU-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c1-14(15-8-4-3-5-9-15)28-18(32)13-33-19-12-16(23(24,25)26)20-21(17-10-6-7-11-27-17)30-31(2)22(20)29-19/h3-12,14H,13H2,1-2H3,(H,28,32)/t14-/m0/s1.
What are the key properties of 2-[1-methyl-3-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide?
2-[1-methyl-3-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 455.44 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 70818984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).