1-methyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide

C20H17F3N6OS — CID 46841874

IUPAC1-methyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c(cn1)ncn2C)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C20H17F3N6OS/c1-11(27-18(30)14-7-16-15(8-24-14)26-10-29(16)2)17-9-25-19(31-17)28-13-5-3-12(4-6-13)20(21,22)23/h3-11H,1-2H3,(H,25,28)(H,27,30)/t11-/m1/s1
InChIKeyXNZNGXMCHPLDLE-LLVKDONJSA-N
MW446.46 g/mol
LogP4.68
Rot. Bonds5

About 1-methyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide

1-methyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 46841874) has the molecular formula C20H17F3N6OS and a molecular weight of 446.46 g/mol. Its IUPAC name is 1-methyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID46841874
Molecular FormulaC20H17F3N6OS
Molecular Weight446.46 g/mol
Exact Mass446.11
IUPAC Name1-methyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c(cn1)ncn2C)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C20H17F3N6OS/c1-11(27-18(30)14-7-16-15(8-24-14)26-10-29(16)2)17-9-25-19(31-17)28-13-5-3-12(4-6-13)20(21,22)23/h3-11H,1-2H3,(H,25,28)(H,27,30)/t11-/m1/s1
InChIKeyXNZNGXMCHPLDLE-LLVKDONJSA-N
XLogP4.68
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of 1-methyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide (CID 46841874) is 1-methyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for 1-methyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide is C[C@@H](NC(=O)c1cc2c(cn1)ncn2C)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 1-methyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is XNZNGXMCHPLDLE-LLVKDONJSA-N. The full InChI is InChI=1S/C20H17F3N6OS/c1-11(27-18(30)14-7-16-15(8-24-14)26-10-29(16)2)17-9-25-19(31-17)28-13-5-3-12(4-6-13)20(21,22)23/h3-11H,1-2H3,(H,25,28)(H,27,30)/t11-/m1/s1.
What are the key properties of 1-methyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
1-methyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 446.46 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 46841874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).