7-chloro-3-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide

C17H14ClF3N4O2 — CID 122458329

IUPAC7-chloro-3-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCOCCn1cnc2c(Cl)c(C(=O)Nc3ccc(C(F)(F)F)cc3)cnc21
InChIInChI=1S/C17H14ClF3N4O2/c1-27-7-6-25-9-23-14-13(18)12(8-22-15(14)25)16(26)24-11-4-2-10(3-5-11)17(19,20)21/h2-5,8-9H,6-7H2,1H3,(H,24,26)
InChIKeyFZSMIJXIIUZBME-UHFFFAOYSA-N
MW398.77 g/mol
LogP4.00
Rot. Bonds5

About 7-chloro-3-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide

7-chloro-3-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 122458329) has the molecular formula C17H14ClF3N4O2 and a molecular weight of 398.77 g/mol. Its IUPAC name is 7-chloro-3-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-chloro-3-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID122458329
Molecular FormulaC17H14ClF3N4O2
Molecular Weight398.77 g/mol
Exact Mass398.08
IUPAC Name7-chloro-3-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCOCCn1cnc2c(Cl)c(C(=O)Nc3ccc(C(F)(F)F)cc3)cnc21
InChIInChI=1S/C17H14ClF3N4O2/c1-27-7-6-25-9-23-14-13(18)12(8-22-15(14)25)16(26)24-11-4-2-10(3-5-11)17(19,20)21/h2-5,8-9H,6-7H2,1H3,(H,24,26)
InChIKeyFZSMIJXIIUZBME-UHFFFAOYSA-N
XLogP4.00
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.77
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-3-[2-(1-ethylpiperidin-4-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 122442740
4-chloro-N-(4-chlorophenyl)-1-(2-methoxyethyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(2-methoxyethyl)-3-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(2-methoxyethyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-propan-2-yl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 162108614
4-chloro-N-(4-chlorophenyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122457031
1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-chloro-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458535
4-chloro-3-methyl-1-(pyrazin-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122457247
4-chloro-1-(2,3-dihydro-1H-triazol-4-ylmethyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458956
N-[4-[[9-(2-methoxyethyl)purin-6-yl]amino]phenyl]acetamide
CID 155799343
4-chloro-3-methyl-1-[2-(oxan-4-ylamino)ethyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135257926
4-chloro-1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458496
4-chloro-1-(1,3-thiazol-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122455205
4-chloro-1-(pyridin-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122457313
4-chloro-1-(1,1-dioxothian-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122457961

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 7-chloro-3-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 122458329) is 7-chloro-3-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 7-chloro-3-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 7-chloro-3-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide is COCCn1cnc2c(Cl)c(C(=O)Nc3ccc(C(F)(F)F)cc3)cnc21.
What is the InChIKey of 7-chloro-3-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is FZSMIJXIIUZBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N4O2/c1-27-7-6-25-9-23-14-13(18)12(8-22-15(14)25)16(26)24-11-4-2-10(3-5-11)17(19,20)21/h2-5,8-9H,6-7H2,1H3,(H,24,26).
What are the key properties of 7-chloro-3-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
7-chloro-3-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 398.77 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 122458329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).