imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine

C42H42F6N6O7 — CID 159250551

IUPACimidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine
SMILESFC(F)(F)Oc1cccc(CNC2CCOCC2)c1.O=C(O)c1cn2ccccc2n1.O=C(c1cn2ccccc2n1)N(Cc1cccc(OC(F)(F)F)c1)C1CCOCC1
InChIInChI=1S/C21H20F3N3O3.C13H16F3NO2.C8H6N2O2/c22-21(23,24)30-17-5-3-4-15(12-17)13-27(16-7-10-29-11-8-16)20(28)18-14-26-9-2-1-6-19(26)25-18;14-13(15,16)19-12-3-1-2-10(8-12)9-17-11-4-6-18-7-5-11;11-8(12)6-5-10-4-2-1-3-7(10)9-6/h1-6,9,12,14,16H,7-8,10-11,13H2;1-3,8,11,17H,4-7,9H2;1-5H,(H,11,12)
InChIKeyKVFXYUXFMSHPSL-UHFFFAOYSA-N
MW856.82 g/mol
LogP7.94
Rot. Bonds10

About imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine

imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine (PubChem CID 159250551) has the molecular formula C42H42F6N6O7 and a molecular weight of 856.82 g/mol. Its IUPAC name is imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine
PubChem CID159250551
Molecular FormulaC42H42F6N6O7
Molecular Weight856.82 g/mol
Exact Mass856.30
IUPAC Nameimidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine
SMILESFC(F)(F)Oc1cccc(CNC2CCOCC2)c1.O=C(O)c1cn2ccccc2n1.O=C(c1cn2ccccc2n1)N(Cc1cccc(OC(F)(F)F)c1)C1CCOCC1
InChIInChI=1S/C21H20F3N3O3.C13H16F3NO2.C8H6N2O2/c22-21(23,24)30-17-5-3-4-15(12-17)13-27(16-7-10-29-11-8-16)20(28)18-14-26-9-2-1-6-19(26)25-18;14-13(15,16)19-12-3-1-2-10(8-12)9-17-11-4-6-18-7-5-11;11-8(12)6-5-10-4-2-1-3-7(10)9-6/h1-6,9,12,14,16H,7-8,10-11,13H2;1-3,8,11,17H,4-7,9H2;1-5H,(H,11,12)
InChIKeyKVFXYUXFMSHPSL-UHFFFAOYSA-N
XLogP7.94
TPSA141.16 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500856.82
LogP ≤ 57.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine with MolForge

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Related Compounds

N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 59190462
N-(trans-4-fluoropiperidin-3-yl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763666
2-[4-[4-[2-[[3-(Trifluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
CID 71696643
2-[4-[4-[2-[[2-Fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
CID 71696645
2-[4-[4-[2-[[4-Fluoro-3-(trifluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
CID 89751732
US11091495, Example 2
CID 139381716
US11091495, Example 6
CID 155788051
US11091495, Example 7
CID 155788158
5-(2-((1-((6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl)-1H-1,2,3-triazole-4-carboxamido)methyl)-3-fluoro-4-methoxyphenyl)pyrimidine-2-carboxylic Acid
CID 156152232
N-(trans-4-hydroxycyclohexyl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763701
(R and S)-N-(2,2,2-trifluoro-1-(pyridin-3-yl)ethyl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763710
(S)-N-(tetrahydro-2H-pyran-3-yl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763726

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine?
The IUPAC name of imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine (CID 159250551) is imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine.
What is the SMILES notation for imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine?
The canonical SMILES for imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine is FC(F)(F)Oc1cccc(CNC2CCOCC2)c1.O=C(O)c1cn2ccccc2n1.O=C(c1cn2ccccc2n1)N(Cc1cccc(OC(F)(F)F)c1)C1CCOCC1.
What is the InChIKey of imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine?
The InChIKey is KVFXYUXFMSHPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3.C13H16F3NO2.C8H6N2O2/c22-21(23,24)30-17-5-3-4-15(12-17)13-27(16-7-10-29-11-8-16)20(28)18-14-26-9-2-1-6-19(26)25-18;14-13(15,16)19-12-3-1-2-10(8-12)9-17-11-4-6-18-7-5-11;11-8(12)6-5-10-4-2-1-3-7(10)9-6/h1-6,9,12,14,16H,7-8,10-11,13H2;1-3,8,11,17H,4-7,9H2;1-5H,(H,11,12).
What are the key properties of imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine?
imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine has a molecular weight of 856.82 g/mol, XLogP of 7.94, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine is sourced from PubChem (CID 159250551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).