6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine

C24H21N7O — CID 155587788

IUPAC6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCOc1ccn2c(-c3cc(NCc4ccc(-c5cnc(C)nc5)cc4)ncn3)cnc2c1
InChIInChI=1S/C24H21N7O/c1-16-25-12-19(13-26-16)18-5-3-17(4-6-18)11-27-23-10-21(29-15-30-23)22-14-28-24-9-20(32-2)7-8-31(22)24/h3-10,12-15H,11H2,1-2H3,(H,27,29,30)
InChIKeyKEOFEULUUNWWKT-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.18
Rot. Bonds6

About 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine

6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 155587788) has the molecular formula C24H21N7O and a molecular weight of 423.48 g/mol. Its IUPAC name is 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine
PubChem CID155587788
Molecular FormulaC24H21N7O
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC Name6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCOc1ccn2c(-c3cc(NCc4ccc(-c5cnc(C)nc5)cc4)ncn3)cnc2c1
InChIInChI=1S/C24H21N7O/c1-16-25-12-19(13-26-16)18-5-3-17(4-6-18)11-27-23-10-21(29-15-30-23)22-14-28-24-9-20(32-2)7-8-31(22)24/h3-10,12-15H,11H2,1-2H3,(H,27,29,30)
InChIKeyKEOFEULUUNWWKT-UHFFFAOYSA-N
XLogP4.18
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine (CID 155587788) is 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine is COc1ccn2c(-c3cc(NCc4ccc(-c5cnc(C)nc5)cc4)ncn3)cnc2c1.
What is the InChIKey of 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is KEOFEULUUNWWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O/c1-16-25-12-19(13-26-16)18-5-3-17(4-6-18)11-27-23-10-21(29-15-30-23)22-14-28-24-9-20(32-2)7-8-31(22)24/h3-10,12-15H,11H2,1-2H3,(H,27,29,30).
What are the key properties of 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine?
6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 423.48 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 155587788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).