N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-[(2S)-oxan-2-yl]acetamide

C26H25ClF3N7O4 — CID 157041629

IUPACN-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-[(2S)-oxan-2-yl]acetamide
SMILESCn1cc(C(F)(F)F)cc(Nc2nc3ncc(Oc4ccnc(NC(=O)C[C@@H]5CCCCO5)c4)c(Cl)c3n2C)c1=O
InChIInChI=1S/C26H25ClF3N7O4/c1-36-13-14(26(28,29)30)9-17(24(36)39)33-25-35-23-22(37(25)2)21(27)18(12-32-23)41-16-6-7-31-19(10-16)34-20(38)11-15-5-3-4-8-40-15/h6-7,9-10,12-13,15H,3-5,8,11H2,1-2H3,(H,31,34,38)(H,32,33,35)/t15-/m0/s1
InChIKeyRAFKBBNYXLFTLN-HNNXBMFYSA-N
MW591.98 g/mol
LogP5.17
Rot. Bonds7

About N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-[(2S)-oxan-2-yl]acetamide

N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-[(2S)-oxan-2-yl]acetamide (PubChem CID 157041629) has the molecular formula C26H25ClF3N7O4 and a molecular weight of 591.98 g/mol. Its IUPAC name is N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-[(2S)-oxan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-[(2S)-oxan-2-yl]acetamide
PubChem CID157041629
Molecular FormulaC26H25ClF3N7O4
Molecular Weight591.98 g/mol
Exact Mass591.16
IUPAC NameN-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-[(2S)-oxan-2-yl]acetamide
SMILESCn1cc(C(F)(F)F)cc(Nc2nc3ncc(Oc4ccnc(NC(=O)C[C@@H]5CCCCO5)c4)c(Cl)c3n2C)c1=O
InChIInChI=1S/C26H25ClF3N7O4/c1-36-13-14(26(28,29)30)9-17(24(36)39)33-25-35-23-22(37(25)2)21(27)18(12-32-23)41-16-6-7-31-19(10-16)34-20(38)11-15-5-3-4-8-40-15/h6-7,9-10,12-13,15H,3-5,8,11H2,1-2H3,(H,31,34,38)(H,32,33,35)/t15-/m0/s1
InChIKeyRAFKBBNYXLFTLN-HNNXBMFYSA-N
XLogP5.17
TPSA125.19 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.98
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-[(2S)-oxan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-[(2S)-oxan-2-yl]acetamide?
The IUPAC name of N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-[(2S)-oxan-2-yl]acetamide (CID 157041629) is N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-[(2S)-oxan-2-yl]acetamide.
What is the SMILES notation for N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-[(2S)-oxan-2-yl]acetamide?
The canonical SMILES for N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-[(2S)-oxan-2-yl]acetamide is Cn1cc(C(F)(F)F)cc(Nc2nc3ncc(Oc4ccnc(NC(=O)C[C@@H]5CCCCO5)c4)c(Cl)c3n2C)c1=O.
What is the InChIKey of N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-[(2S)-oxan-2-yl]acetamide?
The InChIKey is RAFKBBNYXLFTLN-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H25ClF3N7O4/c1-36-13-14(26(28,29)30)9-17(24(36)39)33-25-35-23-22(37(25)2)21(27)18(12-32-23)41-16-6-7-31-19(10-16)34-20(38)11-15-5-3-4-8-40-15/h6-7,9-10,12-13,15H,3-5,8,11H2,1-2H3,(H,31,34,38)(H,32,33,35)/t15-/m0/s1.
What are the key properties of N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-[(2S)-oxan-2-yl]acetamide?
N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-[(2S)-oxan-2-yl]acetamide has a molecular weight of 591.98 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-[(2S)-oxan-2-yl]acetamide is sourced from PubChem (CID 157041629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).