3-[[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]methyl]benzamide

C20H19N7O — CID 90806896

IUPAC3-[[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]methyl]benzamide
SMILESCc1nc(N)cc(-c2c(NCc3cccc(C(N)=O)c3)nc3ccccn23)n1
InChIInChI=1S/C20H19N7O/c1-12-24-15(10-16(21)25-12)18-20(26-17-7-2-3-8-27(17)18)23-11-13-5-4-6-14(9-13)19(22)28/h2-10,23H,11H2,1H3,(H2,22,28)(H2,21,24,25)
InChIKeyVLPUMCNGBMPLPI-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.39
Rot. Bonds5

About 3-[[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]methyl]benzamide

3-[[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]methyl]benzamide (PubChem CID 90806896) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 3-[[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]methyl]benzamide
PubChem CID90806896
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name3-[[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]methyl]benzamide
SMILESCc1nc(N)cc(-c2c(NCc3cccc(C(N)=O)c3)nc3ccccn23)n1
InChIInChI=1S/C20H19N7O/c1-12-24-15(10-16(21)25-12)18-20(26-17-7-2-3-8-27(17)18)23-11-13-5-4-6-14(9-13)19(22)28/h2-10,23H,11H2,1H3,(H2,22,28)(H2,21,24,25)
InChIKeyVLPUMCNGBMPLPI-UHFFFAOYSA-N
XLogP2.39
TPSA124.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]methyl]benzamide?
The IUPAC name of 3-[[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]methyl]benzamide (CID 90806896) is 3-[[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]methyl]benzamide is Cc1nc(N)cc(-c2c(NCc3cccc(C(N)=O)c3)nc3ccccn23)n1.
What is the InChIKey of 3-[[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]methyl]benzamide?
The InChIKey is VLPUMCNGBMPLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-12-24-15(10-16(21)25-12)18-20(26-17-7-2-3-8-27(17)18)23-11-13-5-4-6-14(9-13)19(22)28/h2-10,23H,11H2,1H3,(H2,22,28)(H2,21,24,25).
What are the key properties of 3-[[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]methyl]benzamide?
3-[[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]methyl]benzamide has a molecular weight of 373.42 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]methyl]benzamide is sourced from PubChem (CID 90806896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).