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

C24H22F3N5O — CID 70817059

IUPAC2-[[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)CNc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1)c1ccccc1
InChIInChI=1S/C24H22F3N5O/c1-15(16-9-5-3-6-10-16)29-20(33)14-28-19-13-18(24(25,26)27)21-22(17-11-7-4-8-12-17)31-32(2)23(21)30-19/h3-13,15H,14H2,1-2H3,(H,28,30)(H,29,33)/t15-/m0/s1
InChIKeyXCGOFXSJHBHNTE-HNNXBMFYSA-N
MW453.47 g/mol
LogP4.94
Rot. Bonds6

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

2-[[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 70817059) has the molecular formula C24H22F3N5O and a molecular weight of 453.47 g/mol. Its IUPAC name is 2-[[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]-N-[(1S)-1-phenylethyl]acetamide
PubChem CID70817059
Molecular FormulaC24H22F3N5O
Molecular Weight453.47 g/mol
Exact Mass453.18
IUPAC Name2-[[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)CNc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1)c1ccccc1
InChIInChI=1S/C24H22F3N5O/c1-15(16-9-5-3-6-10-16)29-20(33)14-28-19-13-18(24(25,26)27)21-22(17-11-7-4-8-12-17)31-32(2)23(21)30-19/h3-13,15H,14H2,1-2H3,(H,28,30)(H,29,33)/t15-/m0/s1
InChIKeyXCGOFXSJHBHNTE-HNNXBMFYSA-N
XLogP4.94
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]-N-[(1S)-1-phenylethyl]acetamide (CID 70817059) is 2-[[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)CNc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1)c1ccccc1.
What is the InChIKey of 2-[[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is XCGOFXSJHBHNTE-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H22F3N5O/c1-15(16-9-5-3-6-10-16)29-20(33)14-28-19-13-18(24(25,26)27)21-22(17-11-7-4-8-12-17)31-32(2)23(21)30-19/h3-13,15H,14H2,1-2H3,(H,28,30)(H,29,33)/t15-/m0/s1.
What are the key properties of 2-[[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]-N-[(1S)-1-phenylethyl]acetamide?
2-[[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 453.47 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 70817059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).