2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]methanol

C42H32F6N8O3 — CID 159847816

IUPAC2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]methanol
SMILESCc1nc2ccccn2c1-c1cc(C(=O)O)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccn2c1-c1cc(CO)cc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C21H15F3N4O2.C21H17F3N4O/c1-12-19(28-9-3-2-4-18(28)25-12)16-10-13(20(29)30)11-17(27-16)26-15-7-5-14(6-8-15)21(22,23)24;1-13-20(28-9-3-2-4-19(28)25-13)17-10-14(12-29)11-18(27-17)26-16-7-5-15(6-8-16)21(22,23)24/h2-11H,1H3,(H,26,27)(H,29,30);2-11,29H,12H2,1H3,(H,26,27)
InChIKeyNPNPBJVCLVUUOX-UHFFFAOYSA-N
MW810.76 g/mol
LogP10.12
Rot. Bonds8

About 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]methanol

2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]methanol (PubChem CID 159847816) has the molecular formula C42H32F6N8O3 and a molecular weight of 810.76 g/mol. Its IUPAC name is 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]methanol
PubChem CID159847816
Molecular FormulaC42H32F6N8O3
Molecular Weight810.76 g/mol
Exact Mass810.25
IUPAC Name2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]methanol
SMILESCc1nc2ccccn2c1-c1cc(C(=O)O)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccn2c1-c1cc(CO)cc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C21H15F3N4O2.C21H17F3N4O/c1-12-19(28-9-3-2-4-18(28)25-12)16-10-13(20(29)30)11-17(27-16)26-15-7-5-14(6-8-15)21(22,23)24;1-13-20(28-9-3-2-4-19(28)25-13)17-10-14(12-29)11-18(27-17)26-16-7-5-15(6-8-16)21(22,23)24/h2-11H,1H3,(H,26,27)(H,29,30);2-11,29H,12H2,1H3,(H,26,27)
InChIKeyNPNPBJVCLVUUOX-UHFFFAOYSA-N
XLogP10.12
TPSA141.97 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.76
LogP ≤ 510.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]methanol with MolForge

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Related Compounds

4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
2-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-5-[[4-(trifluoromethyl)pyridin-2-yl]carbamoyl]benzoic acid
CID 76901415
US10087188, Example 23
CID 121455635
US10087188, Example 24
CID 121455749
3-(Trifluoromethyl)-2-(5-(5-(trifluoromethyl)pyridin-2-ylamino)-1,8-naphthyridin-2-yl)isonicotinic acid
CID 49863868
4-[8-[[8-Methyl-3-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 86766075
US10087188, Example 182
CID 121455848
4-[2-Oxo-8-[[3-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 86766074
US11186579, Example 2
CID 146307393
1-(Cyclopropylmethyl)-2-(9-ethyl-9H-pyrido[2,3-b]indol-3-yl)-1H-benzimidazole-5-carboxylic acid
CID 90202704
4-[[6-(4-Methylphenyl)imidazo[1,2-a]pyridin-8-yl]methylamino]benzoic acid
CID 177655271
4-[(2-Phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid
CID 53207855

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]methanol?
The IUPAC name of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]methanol (CID 159847816) is 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]methanol.
What is the SMILES notation for 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]methanol?
The canonical SMILES for 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]methanol is Cc1nc2ccccn2c1-c1cc(C(=O)O)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccn2c1-c1cc(CO)cc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]methanol?
The InChIKey is NPNPBJVCLVUUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2.C21H17F3N4O/c1-12-19(28-9-3-2-4-18(28)25-12)16-10-13(20(29)30)11-17(27-16)26-15-7-5-14(6-8-15)21(22,23)24;1-13-20(28-9-3-2-4-19(28)25-13)17-10-14(12-29)11-18(27-17)26-16-7-5-15(6-8-16)21(22,23)24/h2-11H,1H3,(H,26,27)(H,29,30);2-11,29H,12H2,1H3,(H,26,27).
What are the key properties of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]methanol?
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]methanol has a molecular weight of 810.76 g/mol, XLogP of 10.12, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]methanol is sourced from PubChem (CID 159847816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).