methyl 3-(cyclohexylamino)-2-imidazo[1,2-a]pyridin-6-ylimidazo[1,2-a]pyridine-6-carboxylate

C22H23N5O2 — CID 155558622

IUPACmethyl 3-(cyclohexylamino)-2-imidazo[1,2-a]pyridin-6-ylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc4nccn4c3)c(NC3CCCCC3)n2c1
InChIInChI=1S/C22H23N5O2/c1-29-22(28)16-8-10-19-25-20(15-7-9-18-23-11-12-26(18)13-15)21(27(19)14-16)24-17-5-3-2-4-6-17/h7-14,17,24H,2-6H2,1H3
InChIKeyLRKGNZWZIJYMOB-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.18
Rot. Bonds4

About methyl 3-(cyclohexylamino)-2-imidazo[1,2-a]pyridin-6-ylimidazo[1,2-a]pyridine-6-carboxylate

methyl 3-(cyclohexylamino)-2-imidazo[1,2-a]pyridin-6-ylimidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 155558622) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is methyl 3-(cyclohexylamino)-2-imidazo[1,2-a]pyridin-6-ylimidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(cyclohexylamino)-2-imidazo[1,2-a]pyridin-6-ylimidazo[1,2-a]pyridine-6-carboxylate
PubChem CID155558622
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Namemethyl 3-(cyclohexylamino)-2-imidazo[1,2-a]pyridin-6-ylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc4nccn4c3)c(NC3CCCCC3)n2c1
InChIInChI=1S/C22H23N5O2/c1-29-22(28)16-8-10-19-25-20(15-7-9-18-23-11-12-26(18)13-15)21(27(19)14-16)24-17-5-3-2-4-6-17/h7-14,17,24H,2-6H2,1H3
InChIKeyLRKGNZWZIJYMOB-UHFFFAOYSA-N
XLogP4.18
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclohexylamino)-2-imidazo[1,2-a]pyridin-6-ylimidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-(cyclohexylamino)-2-imidazo[1,2-a]pyridin-6-ylimidazo[1,2-a]pyridine-6-carboxylate (CID 155558622) is methyl 3-(cyclohexylamino)-2-imidazo[1,2-a]pyridin-6-ylimidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-(cyclohexylamino)-2-imidazo[1,2-a]pyridin-6-ylimidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-(cyclohexylamino)-2-imidazo[1,2-a]pyridin-6-ylimidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc4nccn4c3)c(NC3CCCCC3)n2c1.
What is the InChIKey of methyl 3-(cyclohexylamino)-2-imidazo[1,2-a]pyridin-6-ylimidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is LRKGNZWZIJYMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-29-22(28)16-8-10-19-25-20(15-7-9-18-23-11-12-26(18)13-15)21(27(19)14-16)24-17-5-3-2-4-6-17/h7-14,17,24H,2-6H2,1H3.
What are the key properties of methyl 3-(cyclohexylamino)-2-imidazo[1,2-a]pyridin-6-ylimidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-(cyclohexylamino)-2-imidazo[1,2-a]pyridin-6-ylimidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 389.46 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclohexylamino)-2-imidazo[1,2-a]pyridin-6-ylimidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 155558622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).