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

C20H16F2N6O2 — CID 67258206

IUPACethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(5-fluoro-2-pyridinyl)-methylamino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1N(C)c1ccc(F)cn1
InChIInChI=1S/C20H16F2N6O2/c1-3-30-20(29)14-9-25-18(15-10-24-17-7-5-13(22)11-28(15)17)26-19(14)27(2)16-6-4-12(21)8-23-16/h4-11H,3H2,1-2H3
InChIKeyZNEGBYYWMIYMQT-UHFFFAOYSA-N
MW410.38 g/mol
LogP3.41
Rot. Bonds5

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

ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(5-fluoro-2-pyridinyl)-methylamino]pyrimidine-5-carboxylate (PubChem CID 67258206) has the molecular formula C20H16F2N6O2 and a molecular weight of 410.38 g/mol. Its IUPAC name is ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(5-fluoro-2-pyridinyl)-methylamino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(5-fluoro-2-pyridinyl)-methylamino]pyrimidine-5-carboxylate
PubChem CID67258206
Molecular FormulaC20H16F2N6O2
Molecular Weight410.38 g/mol
Exact Mass410.13
IUPAC Nameethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(5-fluoro-2-pyridinyl)-methylamino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1N(C)c1ccc(F)cn1
InChIInChI=1S/C20H16F2N6O2/c1-3-30-20(29)14-9-25-18(15-10-24-17-7-5-13(22)11-28(15)17)26-19(14)27(2)16-6-4-12(21)8-23-16/h4-11H,3H2,1-2H3
InChIKeyZNEGBYYWMIYMQT-UHFFFAOYSA-N
XLogP3.41
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
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-[(5-fluoro-2-pyridinyl)-methylamino]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(5-fluoro-2-pyridinyl)-methylamino]pyrimidine-5-carboxylate (CID 67258206) is ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(5-fluoro-2-pyridinyl)-methylamino]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(5-fluoro-2-pyridinyl)-methylamino]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(5-fluoro-2-pyridinyl)-methylamino]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1N(C)c1ccc(F)cn1.
What is the InChIKey of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(5-fluoro-2-pyridinyl)-methylamino]pyrimidine-5-carboxylate?
The InChIKey is ZNEGBYYWMIYMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6O2/c1-3-30-20(29)14-9-25-18(15-10-24-17-7-5-13(22)11-28(15)17)26-19(14)27(2)16-6-4-12(21)8-23-16/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(5-fluoro-2-pyridinyl)-methylamino]pyrimidine-5-carboxylate?
ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(5-fluoro-2-pyridinyl)-methylamino]pyrimidine-5-carboxylate has a molecular weight of 410.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 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-[(5-fluoro-2-pyridinyl)-methylamino]pyrimidine-5-carboxylate is sourced from PubChem (CID 67258206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).