3-(2-aminopyrimidin-4-yl)-N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxamide

C21H21N7O2 — CID 66679141

IUPAC3-(2-aminopyrimidin-4-yl)-N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOCCNC(=O)c1ccc2nc(-c3cccc(C)n3)c(-c3ccnc(N)n3)n2c1
InChIInChI=1S/C21H21N7O2/c1-13-4-3-5-15(25-13)18-19(16-8-9-24-21(22)26-16)28-12-14(6-7-17(28)27-18)20(29)23-10-11-30-2/h3-9,12H,10-11H2,1-2H3,(H,23,29)(H2,22,24,26)
InChIKeyWOBVNDLMPGASJH-UHFFFAOYSA-N
MW403.45 g/mol
LogP2.12
Rot. Bonds6

About 3-(2-aminopyrimidin-4-yl)-N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxamide

3-(2-aminopyrimidin-4-yl)-N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 66679141) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-4-yl)-N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(2-aminopyrimidin-4-yl)-N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID66679141
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name3-(2-aminopyrimidin-4-yl)-N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOCCNC(=O)c1ccc2nc(-c3cccc(C)n3)c(-c3ccnc(N)n3)n2c1
InChIInChI=1S/C21H21N7O2/c1-13-4-3-5-15(25-13)18-19(16-8-9-24-21(22)26-16)28-12-14(6-7-17(28)27-18)20(29)23-10-11-30-2/h3-9,12H,10-11H2,1-2H3,(H,23,29)(H2,22,24,26)
InChIKeyWOBVNDLMPGASJH-UHFFFAOYSA-N
XLogP2.12
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 66678798
3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid;hydroxylamine
CID 69378660
3-(2-aminopyrimidin-4-yl)-N-(2-hydroxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 66678363
methyl 2-(6-methyl-2-pyridinyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylate
CID 66679037
4-[[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]butanamide
CID 69327635
3-(2-aminopyrimidin-4-yl)-6-methyl-2-(6-methyl-2-pyridinyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridin-8-amine
CID 66679083
N-[3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-2-(3-methoxyphenyl)acetamide;2-(3-methoxyphenyl)acetyl chloride
CID 157339070
N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-1,3-benzoxazole-6-carboxamide
CID 134799037
N-(2-aminophenyl)-4-[[4-[6-(2-methoxyethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide
CID 44611113
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134800528
N-(2-methoxyethyl)-3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 137291262
N-(2-methoxyethyl)-4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 46277332

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-4-yl)-N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 3-(2-aminopyrimidin-4-yl)-N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 66679141) is 3-(2-aminopyrimidin-4-yl)-N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-(2-aminopyrimidin-4-yl)-N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 3-(2-aminopyrimidin-4-yl)-N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxamide is COCCNC(=O)c1ccc2nc(-c3cccc(C)n3)c(-c3ccnc(N)n3)n2c1.
What is the InChIKey of 3-(2-aminopyrimidin-4-yl)-N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is WOBVNDLMPGASJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-13-4-3-5-15(25-13)18-19(16-8-9-24-21(22)26-16)28-12-14(6-7-17(28)27-18)20(29)23-10-11-30-2/h3-9,12H,10-11H2,1-2H3,(H,23,29)(H2,22,24,26).
What are the key properties of 3-(2-aminopyrimidin-4-yl)-N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxamide?
3-(2-aminopyrimidin-4-yl)-N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopyrimidin-4-yl)-N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 66679141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).