8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide

C21H17F2N9OS — CID 118168167

IUPAC8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ncc(CNC(=O)c2cc(-n3nncc3C(F)F)c3ncc(-c4ncc(C)s4)n3c2)cn1
InChIInChI=1S/C21H17F2N9OS/c1-11-4-28-21(34-11)17-8-26-19-15(32-16(18(22)23)9-29-30-32)3-14(10-31(17)19)20(33)27-7-13-5-24-12(2)25-6-13/h3-6,8-10,18H,7H2,1-2H3,(H,27,33)
InChIKeyJXIXBHGVEDVQQJ-UHFFFAOYSA-N
MW481.49 g/mol
LogP3.31
Rot. Bonds6

About 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide

8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168167) has the molecular formula C21H17F2N9OS and a molecular weight of 481.49 g/mol. Its IUPAC name is 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118168167
Molecular FormulaC21H17F2N9OS
Molecular Weight481.49 g/mol
Exact Mass481.12
IUPAC Name8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ncc(CNC(=O)c2cc(-n3nncc3C(F)F)c3ncc(-c4ncc(C)s4)n3c2)cn1
InChIInChI=1S/C21H17F2N9OS/c1-11-4-28-21(34-11)17-8-26-19-15(32-16(18(22)23)9-29-30-32)3-14(10-31(17)19)20(33)27-7-13-5-24-12(2)25-6-13/h3-6,8-10,18H,7H2,1-2H3,(H,27,33)
InChIKeyJXIXBHGVEDVQQJ-UHFFFAOYSA-N
XLogP3.31
TPSA115.78 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(3R)-3-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 137654148
1-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469815
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(2S)-2-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 137637746
[6-[[4-(1,3-Dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 137647785
4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 59603981
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(3S)-3-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 137636243
[6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 137644050
N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-trifluoropropanoyl) piperidin-4-yl)-1H-imidazol-5-yl)imidazo [1,2-b]pyridazin-2-yl)-4-methyl-2-(pyridin-3-yl)thiazole-5-carboxamide
CID 76282084
N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-trifluoropropyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)thiazole-5-carboxamide
CID 90246115
N-(6-(1-(azetidin-3-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-4-methyl-2-(pyridin-3-yl)thiazole-5-carboxamide
CID 90246134
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 118537095
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 118537216

Frequently Asked Questions

What is the IUPAC name of 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (CID 118168167) is 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is Cc1ncc(CNC(=O)c2cc(-n3nncc3C(F)F)c3ncc(-c4ncc(C)s4)n3c2)cn1.
What is the InChIKey of 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is JXIXBHGVEDVQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N9OS/c1-11-4-28-21(34-11)17-8-26-19-15(32-16(18(22)23)9-29-30-32)3-14(10-31(17)19)20(33)27-7-13-5-24-12(2)25-6-13/h3-6,8-10,18H,7H2,1-2H3,(H,27,33).
What are the key properties of 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 481.49 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).