2-(3-hydroxy-3-methylbutyl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid

C41H41F6N9O7 — CID 164994057

IUPAC2-(3-hydroxy-3-methylbutyl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(=O)O)cc2n1.CNC(=O)c1cc2nc(CCC(C)(C)O)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C21H22F3N5O3.C20H19F3N4O4/c1-20(2,32)8-7-12-10-29-11-15(13(18(30)25-3)9-17(29)26-12)28-19(31)14-5-4-6-16(27-14)21(22,23)24;1-19(2,31)7-6-11-9-27-10-14(12(18(29)30)8-16(27)24-11)26-17(28)13-4-3-5-15(25-13)20(21,22)23/h4-6,9-11,32H,7-8H2,1-3H3,(H,25,30)(H,28,31);3-5,8-10,31H,6-7H2,1-2H3,(H,26,28)(H,29,30)
InChIKeyHHEMBTGPZFSGAJ-UHFFFAOYSA-N
MW885.82 g/mol
LogP6.47
Rot. Bonds12

About 2-(3-hydroxy-3-methylbutyl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid

2-(3-hydroxy-3-methylbutyl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 164994057) has the molecular formula C41H41F6N9O7 and a molecular weight of 885.82 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylbutyl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylbutyl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID164994057
Molecular FormulaC41H41F6N9O7
Molecular Weight885.82 g/mol
Exact Mass885.30
IUPAC Name2-(3-hydroxy-3-methylbutyl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(=O)O)cc2n1.CNC(=O)c1cc2nc(CCC(C)(C)O)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C21H22F3N5O3.C20H19F3N4O4/c1-20(2,32)8-7-12-10-29-11-15(13(18(30)25-3)9-17(29)26-12)28-19(31)14-5-4-6-16(27-14)21(22,23)24;1-19(2,31)7-6-11-9-27-10-14(12(18(29)30)8-16(27)24-11)26-17(28)13-4-3-5-15(25-13)20(21,22)23/h4-6,9-11,32H,7-8H2,1-3H3,(H,25,30)(H,28,31);3-5,8-10,31H,6-7H2,1-2H3,(H,26,28)(H,29,30)
InChIKeyHHEMBTGPZFSGAJ-UHFFFAOYSA-N
XLogP6.47
TPSA225.44 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms63
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500885.82
LogP ≤ 56.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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Related Compounds

4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-[[5-1(3R)-3-(1-hydroxy-1-methyl-ethyl)-1-piperidyl]-2-pyridyl]-amino]-2,3-dihydropyrrolo [3,4-c]pyridin-1-one
CID 156153083
4-(8-fluoroimidazo [1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-(1-hydroxy-1-methyl-ethyl)-1-piperidyl]-2-pyridyl]-amino]-2,3-dihydropyrrolo [3,4-c]pyridin-1-one
CID 156162950
(S)-4-(8-fluoroimidazo [1,2-a]pyridin-3-yl)-7-((5-(3-(2-hydroxypropan-2-yl)-4-methylpiperazin-1-yl)pyridin-2-yl)amino)-2.3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
CID 156163896
(R]-4-(8-fluoroimidazo [1,2-a]pyridin-3-yl)-7-((5-(3-(2-hydroxypropan-2-yl)-4-methylpiperazin-1-yl)pyridin-2-yl)amino)-2.3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
CID 156163944
4-(8-fluoroimidazo [1,2-a]pyridin-3-yl)-7-((5-(4-hydroxytetra-hydro-2H-pyran-4-yl)pyridin-2-yl)amino)-2,3-dihydro-1H-pyrrolo[3,4-c)pyridin-1-one
CID 156164327
3-Pyridinecarboxylic acid, compd. with 3,7-dihydro-1,3-dimethyl-7-(2-((3-pyridinylmethyl)amino)ethyl)-1H-purine-2,6-dione (1:1)
CID 197889
4-[[3-Ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,6-dioxopurin-7-yl]methyl]benzoic acid
CID 134205590
7-[[5-[(3S)-3-(1-hydroxy-1-methyl-ethyl)-1-piperidyl]-2-pyridyl]-amino]-4-(8-methylimidazo [1,2-a]pyridin-3-yl)-2,3-dihydropyrrolo [3,4-c]pyridin-1-one
CID 156162984
7-((6-(4-hydroxy-1-methylpiperidin-4-yl)pyridin-2-yl)amino)-4-(1-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
CID 156163162
7-((5-(4-hydroxy-4-methylpiperidin-1-yl)pyridin-2-yl)amino)-4-(1-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
CID 156163194
7-((5-(4-hydroxy-4-((4-methylpiperazin-1-yl)methyl)pip-eridin-1-yl)pyridin-2-yl)amino)-4-(imidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
CID 156163291
7-[[5-[(3R)-3-(1-hydroxy-1-methyl-ethyl)-1-piperidyl]-2-pyridyl]amino]-4-(1-methylpyrrolo [2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo [3,4-c]pyridin-1-one
CID 156163550

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylbutyl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-(3-hydroxy-3-methylbutyl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid (CID 164994057) is 2-(3-hydroxy-3-methylbutyl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxy-3-methylbutyl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(3-hydroxy-3-methylbutyl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid is CC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(=O)O)cc2n1.CNC(=O)c1cc2nc(CCC(C)(C)O)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-(3-hydroxy-3-methylbutyl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is HHEMBTGPZFSGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O3.C20H19F3N4O4/c1-20(2,32)8-7-12-10-29-11-15(13(18(30)25-3)9-17(29)26-12)28-19(31)14-5-4-6-16(27-14)21(22,23)24;1-19(2,31)7-6-11-9-27-10-14(12(18(29)30)8-16(27)24-11)26-17(28)13-4-3-5-15(25-13)20(21,22)23/h4-6,9-11,32H,7-8H2,1-3H3,(H,25,30)(H,28,31);3-5,8-10,31H,6-7H2,1-2H3,(H,26,28)(H,29,30).
What are the key properties of 2-(3-hydroxy-3-methylbutyl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid?
2-(3-hydroxy-3-methylbutyl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 885.82 g/mol, XLogP of 6.47, 12 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylbutyl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 164994057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).