N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide

C22H16ClF3N4O2 — CID 90403401

IUPACN-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1cnc2nc(-c3cc(NC(=O)Cc4ccc(OC(F)(F)F)cc4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C22H16ClF3N4O2/c1-12-8-18-21(27-11-12)30-20(29-18)16-10-14(4-7-17(16)23)28-19(31)9-13-2-5-15(6-3-13)32-22(24,25)26/h2-8,10-11H,9H2,1H3,(H,28,31)(H,27,29,30)
InChIKeySUTVVSBMGHQOBN-UHFFFAOYSA-N
MW460.84 g/mol
LogP5.67
Rot. Bonds5

About N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide

N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 90403401) has the molecular formula C22H16ClF3N4O2 and a molecular weight of 460.84 g/mol. Its IUPAC name is N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID90403401
Molecular FormulaC22H16ClF3N4O2
Molecular Weight460.84 g/mol
Exact Mass460.09
IUPAC NameN-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1cnc2nc(-c3cc(NC(=O)Cc4ccc(OC(F)(F)F)cc4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C22H16ClF3N4O2/c1-12-8-18-21(27-11-12)30-20(29-18)16-10-14(4-7-17(16)23)28-19(31)9-13-2-5-15(6-3-13)32-22(24,25)26/h2-8,10-11H,9H2,1H3,(H,28,31)(H,27,29,30)
InChIKeySUTVVSBMGHQOBN-UHFFFAOYSA-N
XLogP5.67
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.84
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide
CID 90403734
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(dimethylamino)phenyl]acetamide
CID 85471704
2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 90403629
2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide
CID 90403020
1-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methylurea
CID 90403490
propan-2-yl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate
CID 90404079
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide
CID 85471839
2-methylpropyl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate
CID 90403529
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 90403576
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 90403510
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 90403536
[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]carbamic acid
CID 90403447

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 90403401) is N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide is Cc1cnc2nc(-c3cc(NC(=O)Cc4ccc(OC(F)(F)F)cc4)ccc3Cl)[nH]c2c1.
What is the InChIKey of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is SUTVVSBMGHQOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N4O2/c1-12-8-18-21(27-11-12)30-20(29-18)16-10-14(4-7-17(16)23)28-19(31)9-13-2-5-15(6-3-13)32-22(24,25)26/h2-8,10-11H,9H2,1H3,(H,28,31)(H,27,29,30).
What are the key properties of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 460.84 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 90403401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).