N-[3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-2,2-dimethylpropanamide

C17H16ClFN4O — CID 90403531

IUPACN-[3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(F)c(-c2nc3ncc(Cl)cc3[nH]2)c1
InChIInChI=1S/C17H16ClFN4O/c1-17(2,3)16(24)21-10-4-5-12(19)11(7-10)14-22-13-6-9(18)8-20-15(13)23-14/h4-8H,1-3H3,(H,21,24)(H,20,22,23)
InChIKeyFYPVAYYCJNFABO-UHFFFAOYSA-N
MW346.79 g/mol
LogP4.40
Rot. Bonds2

About N-[3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-2,2-dimethylpropanamide

N-[3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-2,2-dimethylpropanamide (PubChem CID 90403531) has the molecular formula C17H16ClFN4O and a molecular weight of 346.79 g/mol. Its IUPAC name is N-[3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-2,2-dimethylpropanamide
PubChem CID90403531
Molecular FormulaC17H16ClFN4O
Molecular Weight346.79 g/mol
Exact Mass346.10
IUPAC NameN-[3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(F)c(-c2nc3ncc(Cl)cc3[nH]2)c1
InChIInChI=1S/C17H16ClFN4O/c1-17(2,3)16(24)21-10-4-5-12(19)11(7-10)14-22-13-6-9(18)8-20-15(13)23-14/h4-8H,1-3H3,(H,21,24)(H,20,22,23)
InChIKeyFYPVAYYCJNFABO-UHFFFAOYSA-N
XLogP4.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-3-tert-butylurea
CID 90457251
2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide
CID 90403020
4-(dimethylamino)-N-[4-fluoro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]butanamide
CID 90403283
N-[4-fluoro-3-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 155562516
1-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methylurea
CID 90403490
N-[2-[2-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropanamide
CID 10413942
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide
CID 85471839
[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]carbamic acid
CID 90403447
2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 90403629
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]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 90403401
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 90403510

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-2,2-dimethylpropanamide (CID 90403531) is N-[3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(F)c(-c2nc3ncc(Cl)cc3[nH]2)c1.
What is the InChIKey of N-[3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-2,2-dimethylpropanamide?
The InChIKey is FYPVAYYCJNFABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O/c1-17(2,3)16(24)21-10-4-5-12(19)11(7-10)14-22-13-6-9(18)8-20-15(13)23-14/h4-8H,1-3H3,(H,21,24)(H,20,22,23).
What are the key properties of N-[3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-2,2-dimethylpropanamide?
N-[3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-2,2-dimethylpropanamide has a molecular weight of 346.79 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 90403531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).