N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C36H33F3N6O6 — CID 117077607

IUPACN-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cccc(CNC(=O)c2c(C)nc3ccc(-c4ccc5nc(C)c(C(=O)NCc6cccc(OC)c6)n5c4)cn23)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C34H32N6O4.C2HF3O2/c1-21-31(33(41)35-17-23-7-5-9-27(15-23)43-3)39-19-25(11-13-29(39)37-21)26-12-14-30-38-22(2)32(40(30)20-26)34(42)36-18-24-8-6-10-28(16-24)44-4;3-2(4,5)1(6)7/h5-16,19-20H,17-18H2,1-4H3,(H,35,41)(H,36,42);(H,6,7)
InChIKeyNGGDBCGVLXXEEL-UHFFFAOYSA-N
MW702.69 g/mol
LogP5.78
Rot. Bonds9

About N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 117077607) has the molecular formula C36H33F3N6O6 and a molecular weight of 702.69 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID117077607
Molecular FormulaC36H33F3N6O6
Molecular Weight702.69 g/mol
Exact Mass702.24
IUPAC NameN-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cccc(CNC(=O)c2c(C)nc3ccc(-c4ccc5nc(C)c(C(=O)NCc6cccc(OC)c6)n5c4)cn23)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C34H32N6O4.C2HF3O2/c1-21-31(33(41)35-17-23-7-5-9-27(15-23)43-3)39-19-25(11-13-29(39)37-21)26-12-14-30-38-22(2)32(40(30)20-26)34(42)36-18-24-8-6-10-28(16-24)44-4;3-2(4,5)1(6)7/h5-16,19-20H,17-18H2,1-4H3,(H,35,41)(H,36,42);(H,6,7)
InChIKeyNGGDBCGVLXXEEL-UHFFFAOYSA-N
XLogP5.78
TPSA148.56 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.69
LogP ≤ 55.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 117077607) is N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is COc1cccc(CNC(=O)c2c(C)nc3ccc(-c4ccc5nc(C)c(C(=O)NCc6cccc(OC)c6)n5c4)cn23)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is NGGDBCGVLXXEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N6O4.C2HF3O2/c1-21-31(33(41)35-17-23-7-5-9-27(15-23)43-3)39-19-25(11-13-29(39)37-21)26-12-14-30-38-22(2)32(40(30)20-26)34(42)36-18-24-8-6-10-28(16-24)44-4;3-2(4,5)1(6)7/h5-16,19-20H,17-18H2,1-4H3,(H,35,41)(H,36,42);(H,6,7).
What are the key properties of N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 702.69 g/mol, XLogP of 5.78, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 117077607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).