methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate

C23H20FN5O3 — CID 134328540

IUPACmethyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2c1
InChIInChI=1S/C23H20FN5O3/c1-13-7-19(24)18(22(30)27-16-4-5-16)8-17(13)15-9-26-29(12-15)21-10-25-20-6-3-14(11-28(20)21)23(31)32-2/h3,6-12,16H,4-5H2,1-2H3,(H,27,30)
InChIKeyPITJPTKWCRNNRU-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.31
Rot. Bonds5

About methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate

methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 134328540) has the molecular formula C23H20FN5O3 and a molecular weight of 433.44 g/mol. Its IUPAC name is methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID134328540
Molecular FormulaC23H20FN5O3
Molecular Weight433.44 g/mol
Exact Mass433.16
IUPAC Namemethyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2c1
InChIInChI=1S/C23H20FN5O3/c1-13-7-19(24)18(22(30)27-16-4-5-16)8-17(13)15-9-26-29(12-15)21-10-25-20-6-3-14(11-28(20)21)23(31)32-2/h3,6-12,16H,4-5H2,1-2H3,(H,27,30)
InChIKeyPITJPTKWCRNNRU-UHFFFAOYSA-N
XLogP3.31
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate (CID 134328540) is methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2c1.
What is the InChIKey of methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is PITJPTKWCRNNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3/c1-13-7-19(24)18(22(30)27-16-4-5-16)8-17(13)15-9-26-29(12-15)21-10-25-20-6-3-14(11-28(20)21)23(31)32-2/h3,6-12,16H,4-5H2,1-2H3,(H,27,30).
What are the key properties of methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 433.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 134328540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).