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

C23H21N5O3 — CID 134328514

IUPACmethyl 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(-n3cnc(-c4cc(C(=O)NC5CC5)ccc4C)c3)n2c1
InChIInChI=1S/C23H21N5O3/c1-14-3-4-15(22(29)26-17-6-7-17)9-18(14)19-12-27(13-25-19)21-10-24-20-8-5-16(11-28(20)21)23(30)31-2/h3-5,8-13,17H,6-7H2,1-2H3,(H,26,29)
InChIKeyAPEOHJGSHNYSBK-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.17
Rot. Bonds5

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

methyl 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 134328514) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is methyl 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID134328514
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Namemethyl 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(-n3cnc(-c4cc(C(=O)NC5CC5)ccc4C)c3)n2c1
InChIInChI=1S/C23H21N5O3/c1-14-3-4-15(22(29)26-17-6-7-17)9-18(14)19-12-27(13-25-19)21-10-24-20-8-5-16(11-28(20)21)23(30)31-2/h3-5,8-13,17H,6-7H2,1-2H3,(H,26,29)
InChIKeyAPEOHJGSHNYSBK-UHFFFAOYSA-N
XLogP3.17
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.17
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)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate (CID 134328514) is methyl 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2ncc(-n3cnc(-c4cc(C(=O)NC5CC5)ccc4C)c3)n2c1.
What is the InChIKey of methyl 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is APEOHJGSHNYSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-14-3-4-15(22(29)26-17-6-7-17)9-18(14)19-12-27(13-25-19)21-10-24-20-8-5-16(11-28(20)21)23(30)31-2/h3-5,8-13,17H,6-7H2,1-2H3,(H,26,29).
What are the key properties of methyl 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 415.45 g/mol, XLogP of 3.17, 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)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 134328514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).