6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]pyrimidin-4-amine

C22H20N8O — CID 155587672

IUPAC6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCOc1ccn2c(-c3cc(NCc4ccc(-c5cnn(C)n5)cc4)ncn3)cnc2c1
InChIInChI=1S/C22H20N8O/c1-29-27-12-19(28-29)16-5-3-15(4-6-16)11-23-21-10-18(25-14-26-21)20-13-24-22-9-17(31-2)7-8-30(20)22/h3-10,12-14H,11H2,1-2H3,(H,23,25,26)
InChIKeyLZUOWTDXXDSWJF-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.21
Rot. Bonds6

About 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]pyrimidin-4-amine

6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 155587672) has the molecular formula C22H20N8O and a molecular weight of 412.46 g/mol. Its IUPAC name is 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]pyrimidin-4-amine
PubChem CID155587672
Molecular FormulaC22H20N8O
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Name6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCOc1ccn2c(-c3cc(NCc4ccc(-c5cnn(C)n5)cc4)ncn3)cnc2c1
InChIInChI=1S/C22H20N8O/c1-29-27-12-19(28-29)16-5-3-15(4-6-16)11-23-21-10-18(25-14-26-21)20-13-24-22-9-17(31-2)7-8-30(20)22/h3-10,12-14H,11H2,1-2H3,(H,23,25,26)
InChIKeyLZUOWTDXXDSWJF-UHFFFAOYSA-N
XLogP3.21
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]pyrimidin-4-amine with MolForge

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Related Compounds

Ksq-4279
CID 150782011
Methyl substituted pyrazole, 27
CID 23648674
6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine
CID 134284285
Idrx-42
CID 155587867
US10399985, Example 46
CID 122693994
N-(5-tert-butyl-2-methylphenyl)-7-methyl-2-(4-pyridin-4-yloxypiperidin-1-yl)purin-6-amine
CID 46884793
2-methoxy-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766778
3-methoxy-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766930
4-methoxy-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766931
6-(1H-indazol-6-yl)-N-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473155
6-(1H-indazol-6-yl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473273
2-(4-fluorophenyl)-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
CID 66679674

Frequently Asked Questions

What is the IUPAC name of 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]pyrimidin-4-amine (CID 155587672) is 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]pyrimidin-4-amine is COc1ccn2c(-c3cc(NCc4ccc(-c5cnn(C)n5)cc4)ncn3)cnc2c1.
What is the InChIKey of 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is LZUOWTDXXDSWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O/c1-29-27-12-19(28-29)16-5-3-15(4-6-16)11-23-21-10-18(25-14-26-21)20-13-24-22-9-17(31-2)7-8-30(20)22/h3-10,12-14H,11H2,1-2H3,(H,23,25,26).
What are the key properties of 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]pyrimidin-4-amine?
6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 412.46 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 155587672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).