[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate

C17H17N5O5 — CID 27560764

IUPAC[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1ccn2cc(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc2c1
InChIInChI=1S/C17H17N5O5/c1-9-4-5-22-7-10(19-12(22)6-9)16(25)27-8-11(23)13-14(18)20(2)17(26)21(3)15(13)24/h4-7H,8,18H2,1-3H3
InChIKeyBHIORHJJWJZNLT-UHFFFAOYSA-N
MW371.35 g/mol
LogP-0.34
Rot. Bonds4

About [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 27560764) has the molecular formula C17H17N5O5 and a molecular weight of 371.35 g/mol. Its IUPAC name is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID27560764
Molecular FormulaC17H17N5O5
Molecular Weight371.35 g/mol
Exact Mass371.12
IUPAC Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1ccn2cc(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc2c1
InChIInChI=1S/C17H17N5O5/c1-9-4-5-22-7-10(19-12(22)6-9)16(25)27-8-11(23)13-14(18)20(2)17(26)21(3)15(13)24/h4-7H,8,18H2,1-3H3
InChIKeyBHIORHJJWJZNLT-UHFFFAOYSA-N
XLogP-0.34
TPSA130.69 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 27560764) is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate is Cc1ccn2cc(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc2c1.
What is the InChIKey of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is BHIORHJJWJZNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O5/c1-9-4-5-22-7-10(19-12(22)6-9)16(25)27-8-11(23)13-14(18)20(2)17(26)21(3)15(13)24/h4-7H,8,18H2,1-3H3.
What are the key properties of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 371.35 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 27560764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).