methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate

C18H15N5O2S — CID 59176940

IUPACmethyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(Nc2nccc(-c3c(C)nc4ccccn34)n2)cs1
InChIInChI=1S/C18H15N5O2S/c1-11-16(23-8-4-3-5-15(23)20-11)13-6-7-19-18(22-13)21-12-9-14(26-10-12)17(24)25-2/h3-10H,1-2H3,(H,19,21,22)
InChIKeyIJRRGYUUIMGTMZ-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.69
Rot. Bonds4

About methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate

methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate (PubChem CID 59176940) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate
PubChem CID59176940
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Namemethyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(Nc2nccc(-c3c(C)nc4ccccn34)n2)cs1
InChIInChI=1S/C18H15N5O2S/c1-11-16(23-8-4-3-5-15(23)20-11)13-6-7-19-18(22-13)21-12-9-14(26-10-12)17(24)25-2/h3-10H,1-2H3,(H,19,21,22)
InChIKeyIJRRGYUUIMGTMZ-UHFFFAOYSA-N
XLogP3.69
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate (CID 59176940) is methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate is COC(=O)c1cc(Nc2nccc(-c3c(C)nc4ccccn34)n2)cs1.
What is the InChIKey of methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate?
The InChIKey is IJRRGYUUIMGTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-11-16(23-8-4-3-5-15(23)20-11)13-6-7-19-18(22-13)21-12-9-14(26-10-12)17(24)25-2/h3-10H,1-2H3,(H,19,21,22).
What are the key properties of methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate?
methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate has a molecular weight of 365.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 59176940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).