ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(pyridin-3-ylmethylamino)pyrimidine-5-carboxylate

C20H17FN6O2 — CID 67256497

IUPACethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(pyridin-3-ylmethylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1NCc1cccnc1
InChIInChI=1S/C20H17FN6O2/c1-2-29-20(28)15-10-25-19(16-11-23-17-6-5-14(21)12-27(16)17)26-18(15)24-9-13-4-3-7-22-8-13/h3-8,10-12H,2,9H2,1H3,(H,24,25,26)
InChIKeyHWGIEOXXLKHSIV-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.11
Rot. Bonds6

About ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(pyridin-3-ylmethylamino)pyrimidine-5-carboxylate

ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(pyridin-3-ylmethylamino)pyrimidine-5-carboxylate (PubChem CID 67256497) has the molecular formula C20H17FN6O2 and a molecular weight of 392.39 g/mol. Its IUPAC name is ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(pyridin-3-ylmethylamino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(pyridin-3-ylmethylamino)pyrimidine-5-carboxylate
PubChem CID67256497
Molecular FormulaC20H17FN6O2
Molecular Weight392.39 g/mol
Exact Mass392.14
IUPAC Nameethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(pyridin-3-ylmethylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1NCc1cccnc1
InChIInChI=1S/C20H17FN6O2/c1-2-29-20(28)15-10-25-19(16-11-23-17-6-5-14(21)12-27(16)17)26-18(15)24-9-13-4-3-7-22-8-13/h3-8,10-12H,2,9H2,1H3,(H,24,25,26)
InChIKeyHWGIEOXXLKHSIV-UHFFFAOYSA-N
XLogP3.11
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(pyridin-3-ylmethylamino)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(pyridin-3-ylmethylamino)pyrimidine-5-carboxylate (CID 67256497) is ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(pyridin-3-ylmethylamino)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(pyridin-3-ylmethylamino)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(pyridin-3-ylmethylamino)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1NCc1cccnc1.
What is the InChIKey of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(pyridin-3-ylmethylamino)pyrimidine-5-carboxylate?
The InChIKey is HWGIEOXXLKHSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O2/c1-2-29-20(28)15-10-25-19(16-11-23-17-6-5-14(21)12-27(16)17)26-18(15)24-9-13-4-3-7-22-8-13/h3-8,10-12H,2,9H2,1H3,(H,24,25,26).
What are the key properties of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(pyridin-3-ylmethylamino)pyrimidine-5-carboxylate?
ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(pyridin-3-ylmethylamino)pyrimidine-5-carboxylate has a molecular weight of 392.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(pyridin-3-ylmethylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 67256497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).