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

C19H19N5O3 — CID 155554029

IUPACmethyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOCCNc1c(-c2ccc3nccn3c2)nc2ccc(C(=O)OC)cn12
InChIInChI=1S/C19H19N5O3/c1-26-10-8-21-18-17(13-3-5-15-20-7-9-23(15)11-13)22-16-6-4-14(12-24(16)18)19(25)27-2/h3-7,9,11-12,21H,8,10H2,1-2H3
InChIKeyPFHUCNXKJAUXFJ-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.49
Rot. Bonds6

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

methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 155554029) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID155554029
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Namemethyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOCCNc1c(-c2ccc3nccn3c2)nc2ccc(C(=O)OC)cn12
InChIInChI=1S/C19H19N5O3/c1-26-10-8-21-18-17(13-3-5-15-20-7-9-23(15)11-13)22-16-6-4-14(12-24(16)18)19(25)27-2/h3-7,9,11-12,21H,8,10H2,1-2H3
InChIKeyPFHUCNXKJAUXFJ-UHFFFAOYSA-N
XLogP2.49
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate (CID 155554029) is methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate is COCCNc1c(-c2ccc3nccn3c2)nc2ccc(C(=O)OC)cn12.
What is the InChIKey of methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is PFHUCNXKJAUXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-26-10-8-21-18-17(13-3-5-15-20-7-9-23(15)11-13)22-16-6-4-14(12-24(16)18)19(25)27-2/h3-7,9,11-12,21H,8,10H2,1-2H3.
What are the key properties of methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 365.39 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 155554029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).