6-[2-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpyridine-3-carboxamide

C25H20F6N6O2 — CID 166107265

IUPAC6-[2-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2cccnc2n1-c1ccc(C(=O)N(C)C)cn1
InChIInChI=1S/C25H20F6N6O2/c1-13(34-22(38)15-9-16(24(26,27)28)11-17(10-15)25(29,30)31)20-35-18-5-4-8-32-21(18)37(20)19-7-6-14(12-33-19)23(39)36(2)3/h4-13H,1-3H3,(H,34,38)
InChIKeyDQPABDOXQNNDEN-UHFFFAOYSA-N
MW550.46 g/mol
LogP5.05
Rot. Bonds5

About 6-[2-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpyridine-3-carboxamide

6-[2-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 166107265) has the molecular formula C25H20F6N6O2 and a molecular weight of 550.46 g/mol. Its IUPAC name is 6-[2-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID166107265
Molecular FormulaC25H20F6N6O2
Molecular Weight550.46 g/mol
Exact Mass550.16
IUPAC Name6-[2-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2cccnc2n1-c1ccc(C(=O)N(C)C)cn1
InChIInChI=1S/C25H20F6N6O2/c1-13(34-22(38)15-9-16(24(26,27)28)11-17(10-15)25(29,30)31)20-35-18-5-4-8-32-21(18)37(20)19-7-6-14(12-33-19)23(39)36(2)3/h4-13H,1-3H3,(H,34,38)
InChIKeyDQPABDOXQNNDEN-UHFFFAOYSA-N
XLogP5.05
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.46
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[5-[(1S)-1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]-3-(dimethylamino)-1,2,4-triazol-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 156721444
6-[5-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]-3-methyl-1,2,4-triazol-1-yl]-N-methoxy-N-methylpyridine-3-carboxamide
CID 156742124
6-[5-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]-3-methyl-1,2,4-triazol-1-yl]-N-cyclopropyl-N-methylpyridine-3-carboxamide
CID 155586658
6-[5-[(1S)-1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]-3-methyl-1,2,4-triazol-1-yl]-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide
CID 164936087
N-[1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-3,5-bis(difluoromethyl)benzamide
CID 166107257
6-[5-[(1S)-1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]-3-methyl-1,2,4-triazol-1-yl]-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
CID 164936041
methyl 6-[5-[(1S)-1-[[2-[[3,5-bis(trifluoromethyl)benzoyl]amino]benzoyl]amino]ethyl]-3-methyl-1,2,4-triazol-1-yl]pyridine-3-carboxylate
CID 165177589
ethane;N-[(1S)-1-(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 156721596
1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethylcarbamic acid
CID 174216623
6-[5-[(1S)-1-[[3-chloro-5-(trifluoromethyl)benzoyl]amino]ethyl]-1,2,4-triazol-1-yl]-N-ethylpyridine-3-carboxamide
CID 148709533
N-[1-[2-(6-pyridin-2-ylpyrimidin-4-yl)-1,2,4-triazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 172562978
N-[1-[5-acetamido-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1,2,4-triazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 156721508

Frequently Asked Questions

What is the IUPAC name of 6-[2-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[2-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpyridine-3-carboxamide (CID 166107265) is 6-[2-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[2-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[2-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpyridine-3-carboxamide is CC(NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2cccnc2n1-c1ccc(C(=O)N(C)C)cn1.
What is the InChIKey of 6-[2-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is DQPABDOXQNNDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F6N6O2/c1-13(34-22(38)15-9-16(24(26,27)28)11-17(10-15)25(29,30)31)20-35-18-5-4-8-32-21(18)37(20)19-7-6-14(12-33-19)23(39)36(2)3/h4-13H,1-3H3,(H,34,38).
What are the key properties of 6-[2-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpyridine-3-carboxamide?
6-[2-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 550.46 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 166107265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).