2-[1-[(3a-methyl-3,7a-dihydroimidazo[4,5-b]pyridine-6-carbonyl)amino]ethyl]-N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-1,3-thiazole-5-carboxamide

C21H21F2N7O3S — CID 90747841

IUPAC2-[1-[(3a-methyl-3,7a-dihydroimidazo[4,5-b]pyridine-6-carbonyl)amino]ethyl]-N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)C1=CC2N=CNC2(C)N=C1)c1ncc(C(=O)Nc2cc(C(C)(F)F)c(O)cn2)s1
InChIInChI=1S/C21H21F2N7O3S/c1-10(29-17(32)11-4-15-21(3,27-6-11)28-9-26-15)19-25-8-14(34-19)18(33)30-16-5-12(20(2,22)23)13(31)7-24-16/h4-10,15,31H,1-3H3,(H,26,28)(H,29,32)(H,24,30,33)
InChIKeyLFXSBBZBCBDVIW-UHFFFAOYSA-N
MW489.51 g/mol
LogP2.51
Rot. Bonds6

About 2-[1-[(3a-methyl-3,7a-dihydroimidazo[4,5-b]pyridine-6-carbonyl)amino]ethyl]-N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-1,3-thiazole-5-carboxamide

2-[1-[(3a-methyl-3,7a-dihydroimidazo[4,5-b]pyridine-6-carbonyl)amino]ethyl]-N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 90747841) has the molecular formula C21H21F2N7O3S and a molecular weight of 489.51 g/mol. Its IUPAC name is 2-[1-[(3a-methyl-3,7a-dihydroimidazo[4,5-b]pyridine-6-carbonyl)amino]ethyl]-N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-[(3a-methyl-3,7a-dihydroimidazo[4,5-b]pyridine-6-carbonyl)amino]ethyl]-N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID90747841
Molecular FormulaC21H21F2N7O3S
Molecular Weight489.51 g/mol
Exact Mass489.14
IUPAC Name2-[1-[(3a-methyl-3,7a-dihydroimidazo[4,5-b]pyridine-6-carbonyl)amino]ethyl]-N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)C1=CC2N=CNC2(C)N=C1)c1ncc(C(=O)Nc2cc(C(C)(F)F)c(O)cn2)s1
InChIInChI=1S/C21H21F2N7O3S/c1-10(29-17(32)11-4-15-21(3,27-6-11)28-9-26-15)19-25-8-14(34-19)18(33)30-16-5-12(20(2,22)23)13(31)7-24-16/h4-10,15,31H,1-3H3,(H,26,28)(H,29,32)(H,24,30,33)
InChIKeyLFXSBBZBCBDVIW-UHFFFAOYSA-N
XLogP2.51
TPSA140.96 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-[1-[(3a-methyl-3,7a-dihydroimidazo[4,5-b]pyridine-6-carbonyl)amino]ethyl]-N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-[1-[(6-aminopyridine-2-carbonyl)amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 91342742
N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[(6-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 129091006
2-[(1R)-1-[[(2Z)-2-(ethylideneamino)penta-2,4-dienoyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 129091009
2-[1-[(5-chloropyrimidine-4-carbonyl)amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 129091105
2-[1-[[6-[3-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]propyl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 129091152
N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[(2E)-4-[2-(pyrimidin-4-ylamino)ethylamino]penta-2,4-dienoyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 129091154
N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrazin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 129091180
N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 129091206
2-[1-[[(2Z)-4-[(2-amino-2-oxoethyl)amino]-2-(ethylideneamino)penta-2,4-dienoyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 129091418
2-[(1R)-1-[[6-(4-carbamoylpiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 129091445
2-ethyl-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 132032680
6-N-ethyl-4-N-[1-[5-[[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide
CID 132032753

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3a-methyl-3,7a-dihydroimidazo[4,5-b]pyridine-6-carbonyl)amino]ethyl]-N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[1-[(3a-methyl-3,7a-dihydroimidazo[4,5-b]pyridine-6-carbonyl)amino]ethyl]-N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-1,3-thiazole-5-carboxamide (CID 90747841) is 2-[1-[(3a-methyl-3,7a-dihydroimidazo[4,5-b]pyridine-6-carbonyl)amino]ethyl]-N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[1-[(3a-methyl-3,7a-dihydroimidazo[4,5-b]pyridine-6-carbonyl)amino]ethyl]-N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[1-[(3a-methyl-3,7a-dihydroimidazo[4,5-b]pyridine-6-carbonyl)amino]ethyl]-N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-1,3-thiazole-5-carboxamide is CC(NC(=O)C1=CC2N=CNC2(C)N=C1)c1ncc(C(=O)Nc2cc(C(C)(F)F)c(O)cn2)s1.
What is the InChIKey of 2-[1-[(3a-methyl-3,7a-dihydroimidazo[4,5-b]pyridine-6-carbonyl)amino]ethyl]-N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is LFXSBBZBCBDVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N7O3S/c1-10(29-17(32)11-4-15-21(3,27-6-11)28-9-26-15)19-25-8-14(34-19)18(33)30-16-5-12(20(2,22)23)13(31)7-24-16/h4-10,15,31H,1-3H3,(H,26,28)(H,29,32)(H,24,30,33).
What are the key properties of 2-[1-[(3a-methyl-3,7a-dihydroimidazo[4,5-b]pyridine-6-carbonyl)amino]ethyl]-N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-1,3-thiazole-5-carboxamide?
2-[1-[(3a-methyl-3,7a-dihydroimidazo[4,5-b]pyridine-6-carbonyl)amino]ethyl]-N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 489.51 g/mol, XLogP of 2.51, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3a-methyl-3,7a-dihydroimidazo[4,5-b]pyridine-6-carbonyl)amino]ethyl]-N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90747841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).