tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate

C20H23FN6O2 — CID 67242083

IUPACtert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C20H23FN6O2/c1-20(2,3)29-19(28)26-9-7-14(12-26)24-16-6-8-22-18(25-16)15-10-23-17-5-4-13(21)11-27(15)17/h4-6,8,10-11,14H,7,9,12H2,1-3H3,(H,22,24,25)
InChIKeyNBCOTFBVUMBXGF-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.35
Rot. Bonds3

About tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate

tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate (PubChem CID 67242083) has the molecular formula C20H23FN6O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate
PubChem CID67242083
Molecular FormulaC20H23FN6O2
Molecular Weight398.44 g/mol
Exact Mass398.19
IUPAC Nametert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C20H23FN6O2/c1-20(2,3)29-19(28)26-9-7-14(12-26)24-16-6-8-22-18(25-16)15-10-23-17-5-4-13(21)11-27(15)17/h4-6,8,10-11,14H,7,9,12H2,1-3H3,(H,22,24,25)
InChIKeyNBCOTFBVUMBXGF-UHFFFAOYSA-N
XLogP3.35
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate (CID 67242083) is tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1.
What is the InChIKey of tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate?
The InChIKey is NBCOTFBVUMBXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2/c1-20(2,3)29-19(28)26-9-7-14(12-26)24-16-6-8-22-18(25-16)15-10-23-17-5-4-13(21)11-27(15)17/h4-6,8,10-11,14H,7,9,12H2,1-3H3,(H,22,24,25).
What are the key properties of tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate?
tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate has a molecular weight of 398.44 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 67242083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).