3-diazenyl-6-(1-methylpyrazol-4-yl)-N-[[3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrazin-2-amine

C20H23N9O — CID 167146875

IUPAC3-diazenyl-6-(1-methylpyrazol-4-yl)-N-[[3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrazin-2-amine
SMILES[H]/N=N/c1ncc(-c2cnn(C)c2)nc1NCc1ccc2ncc(COC(C)C)n2c1
InChIInChI=1S/C20H23N9O/c1-13(2)30-12-16-8-22-18-5-4-14(10-29(16)18)6-23-19-20(27-21)24-9-17(26-19)15-7-25-28(3)11-15/h4-5,7-11,13,21H,6,12H2,1-3H3,(H,23,26)/b27-21+
InChIKeyJHKOIFBGBRSKLO-SZXQPVLSSA-N
MW405.47 g/mol
LogP3.72
Rot. Bonds8

About 3-diazenyl-6-(1-methylpyrazol-4-yl)-N-[[3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrazin-2-amine

3-diazenyl-6-(1-methylpyrazol-4-yl)-N-[[3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrazin-2-amine (PubChem CID 167146875) has the molecular formula C20H23N9O and a molecular weight of 405.47 g/mol. Its IUPAC name is 3-diazenyl-6-(1-methylpyrazol-4-yl)-N-[[3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-diazenyl-6-(1-methylpyrazol-4-yl)-N-[[3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrazin-2-amine
PubChem CID167146875
Molecular FormulaC20H23N9O
Molecular Weight405.47 g/mol
Exact Mass405.20
IUPAC Name3-diazenyl-6-(1-methylpyrazol-4-yl)-N-[[3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrazin-2-amine
SMILES[H]/N=N/c1ncc(-c2cnn(C)c2)nc1NCc1ccc2ncc(COC(C)C)n2c1
InChIInChI=1S/C20H23N9O/c1-13(2)30-12-16-8-22-18-5-4-14(10-29(16)18)6-23-19-20(27-21)24-9-17(26-19)15-7-25-28(3)11-15/h4-5,7-11,13,21H,6,12H2,1-3H3,(H,23,26)/b27-21+
InChIKeyJHKOIFBGBRSKLO-SZXQPVLSSA-N
XLogP3.72
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]-3-diazenyl-6-(1-methylpyrazol-4-yl)pyrazin-2-amine
CID 155150047
2-[4-[5-diazenyl-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)-2-pyridinyl]pyrazol-1-yl]ethanol
CID 167146802
3-diazenyl-6-(1-piperidin-4-ylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazin-2-amine
CID 139321238
3-[(3-chloroimidazo[1,2-a]pyridin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
CID 53262254
3-hydrazinyl-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-6-(1-propylpyrazol-4-yl)pyrazin-2-amine
CID 155150035
6-(1-methylpyrazol-4-yl)-2-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)pyridine-2,3-diamine
CID 139321537
2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-N-methyl-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine
CID 123363206
2-[4-[5-amino-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)pyrazin-2-yl]pyrazol-1-yl]ethanol
CID 139321220
[6-(1-methylpyrazol-4-yl)-1,2,4-triazin-3-yl]hydrazine
CID 86704095
3-[(4-methoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine
CID 11978219
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propane-2-sulfonamide
CID 122274631
N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033287

Frequently Asked Questions

What is the IUPAC name of 3-diazenyl-6-(1-methylpyrazol-4-yl)-N-[[3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrazin-2-amine?
The IUPAC name of 3-diazenyl-6-(1-methylpyrazol-4-yl)-N-[[3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrazin-2-amine (CID 167146875) is 3-diazenyl-6-(1-methylpyrazol-4-yl)-N-[[3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for 3-diazenyl-6-(1-methylpyrazol-4-yl)-N-[[3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrazin-2-amine?
The canonical SMILES for 3-diazenyl-6-(1-methylpyrazol-4-yl)-N-[[3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrazin-2-amine is [H]/N=N/c1ncc(-c2cnn(C)c2)nc1NCc1ccc2ncc(COC(C)C)n2c1.
What is the InChIKey of 3-diazenyl-6-(1-methylpyrazol-4-yl)-N-[[3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrazin-2-amine?
The InChIKey is JHKOIFBGBRSKLO-SZXQPVLSSA-N. The full InChI is InChI=1S/C20H23N9O/c1-13(2)30-12-16-8-22-18-5-4-14(10-29(16)18)6-23-19-20(27-21)24-9-17(26-19)15-7-25-28(3)11-15/h4-5,7-11,13,21H,6,12H2,1-3H3,(H,23,26)/b27-21+.
What are the key properties of 3-diazenyl-6-(1-methylpyrazol-4-yl)-N-[[3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrazin-2-amine?
3-diazenyl-6-(1-methylpyrazol-4-yl)-N-[[3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrazin-2-amine has a molecular weight of 405.47 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazenyl-6-(1-methylpyrazol-4-yl)-N-[[3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 167146875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).