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N-[(3-methoxyphenyl)methyl]-2-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C22H20F3N5O4 — CID 117077600

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(3-methoxyphenyl)methyl]-2-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cccc(CNC(=O)c2c(C)nc3ccc(-c4cn[nH]c4)cn23)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H19N5O2.C2HF3O2/c1-13-19(20(26)21-9-14-4-3-5-17(8-14)27-2)25-12-15(6-7-18(25)24-13)16-10-22-23-11-16;3-2(4,5)1(6)7/h3-8,10-12H,9H2,1-2H3,(H,21,26)(H,22,23);(H,6,7)
InChIKeyNXLPVOMWLVDWGR-UHFFFAOYSA-N
MW475.43 g/mol
LogP3.60
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-2-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

N-[(3-methoxyphenyl)methyl]-2-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 117077600) has the molecular formula C22H20F3N5O4 and a molecular weight of 475.43 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID117077600
Molecular FormulaC22H20F3N5O4
Molecular Weight475.43 g/mol
Exact Mass475.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cccc(CNC(=O)c2c(C)nc3ccc(-c4cn[nH]c4)cn23)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H19N5O2.C2HF3O2/c1-13-19(20(26)21-9-14-4-3-5-17(8-14)27-2)25-12-15(6-7-18(25)24-13)16-10-22-23-11-16;3-2(4,5)1(6)7/h3-8,10-12H,9H2,1-2H3,(H,21,26)(H,22,23);(H,6,7)
InChIKeyNXLPVOMWLVDWGR-UHFFFAOYSA-N
XLogP3.60
TPSA121.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.43
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 117077600) is N-[(3-methoxyphenyl)methyl]-2-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is COc1cccc(CNC(=O)c2c(C)nc3ccc(-c4cn[nH]c4)cn23)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is NXLPVOMWLVDWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2.C2HF3O2/c1-13-19(20(26)21-9-14-4-3-5-17(8-14)27-2)25-12-15(6-7-18(25)24-13)16-10-22-23-11-16;3-2(4,5)1(6)7/h3-8,10-12H,9H2,1-2H3,(H,21,26)(H,22,23);(H,6,7).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-[(3-methoxyphenyl)methyl]-2-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 475.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 117077600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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