methyl 2-[4-[(2-methylimidazo[1,2-a]pyridin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate

C16H15N7O2 — CID 56794809

IUPACmethyl 2-[4-[(2-methylimidazo[1,2-a]pyridin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate
SMILESCOC(=O)Cn1ncc2c(Nc3ccc4nc(C)cn4c3)ncnc21
InChIInChI=1S/C16H15N7O2/c1-10-6-22-7-11(3-4-13(22)20-10)21-15-12-5-19-23(8-14(24)25-2)16(12)18-9-17-15/h3-7,9H,8H2,1-2H3,(H,17,18,21)
InChIKeyRBJAVYJHDWVCIE-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.70
Rot. Bonds4

About methyl 2-[4-[(2-methylimidazo[1,2-a]pyridin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate

methyl 2-[4-[(2-methylimidazo[1,2-a]pyridin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate (PubChem CID 56794809) has the molecular formula C16H15N7O2 and a molecular weight of 337.34 g/mol. Its IUPAC name is methyl 2-[4-[(2-methylimidazo[1,2-a]pyridin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-methylimidazo[1,2-a]pyridin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate
PubChem CID56794809
Molecular FormulaC16H15N7O2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Namemethyl 2-[4-[(2-methylimidazo[1,2-a]pyridin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate
SMILESCOC(=O)Cn1ncc2c(Nc3ccc4nc(C)cn4c3)ncnc21
InChIInChI=1S/C16H15N7O2/c1-10-6-22-7-11(3-4-13(22)20-10)21-15-12-5-19-23(8-14(24)25-2)16(12)18-9-17-15/h3-7,9H,8H2,1-2H3,(H,17,18,21)
InChIKeyRBJAVYJHDWVCIE-UHFFFAOYSA-N
XLogP1.70
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-methylimidazo[1,2-a]pyridin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[(2-methylimidazo[1,2-a]pyridin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate (CID 56794809) is methyl 2-[4-[(2-methylimidazo[1,2-a]pyridin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(2-methylimidazo[1,2-a]pyridin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[(2-methylimidazo[1,2-a]pyridin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate is COC(=O)Cn1ncc2c(Nc3ccc4nc(C)cn4c3)ncnc21.
What is the InChIKey of methyl 2-[4-[(2-methylimidazo[1,2-a]pyridin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate?
The InChIKey is RBJAVYJHDWVCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O2/c1-10-6-22-7-11(3-4-13(22)20-10)21-15-12-5-19-23(8-14(24)25-2)16(12)18-9-17-15/h3-7,9H,8H2,1-2H3,(H,17,18,21).
What are the key properties of methyl 2-[4-[(2-methylimidazo[1,2-a]pyridin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate?
methyl 2-[4-[(2-methylimidazo[1,2-a]pyridin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate has a molecular weight of 337.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-methylimidazo[1,2-a]pyridin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate is sourced from PubChem (CID 56794809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).