2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine

C22H28FN7O2 — CID 86692699

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
SMILESFc1ccc2ncc(-c3nc(N[C@@H]4CCCNC4)cc(OCCN4CCOCC4)n3)n2c1
InChIInChI=1S/C22H28FN7O2/c23-16-3-4-20-25-14-18(30(20)15-16)22-27-19(26-17-2-1-5-24-13-17)12-21(28-22)32-11-8-29-6-9-31-10-7-29/h3-4,12,14-15,17,24H,1-2,5-11,13H2,(H,26,27,28)/t17-/m1/s1
InChIKeyQBOJGCBWJPYUEH-QGZVFWFLSA-N
MW441.51 g/mol
LogP1.81
Rot. Bonds7

About 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine (PubChem CID 86692699) has the molecular formula C22H28FN7O2 and a molecular weight of 441.51 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
PubChem CID86692699
Molecular FormulaC22H28FN7O2
Molecular Weight441.51 g/mol
Exact Mass441.23
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
SMILESFc1ccc2ncc(-c3nc(N[C@@H]4CCCNC4)cc(OCCN4CCOCC4)n3)n2c1
InChIInChI=1S/C22H28FN7O2/c23-16-3-4-20-25-14-18(30(20)15-16)22-27-19(26-17-2-1-5-24-13-17)12-21(28-22)32-11-8-29-6-9-31-10-7-29/h3-4,12,14-15,17,24H,1-2,5-11,13H2,(H,26,27,28)/t17-/m1/s1
InChIKeyQBOJGCBWJPYUEH-QGZVFWFLSA-N
XLogP1.81
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine (CID 86692699) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine is Fc1ccc2ncc(-c3nc(N[C@@H]4CCCNC4)cc(OCCN4CCOCC4)n3)n2c1.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is QBOJGCBWJPYUEH-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28FN7O2/c23-16-3-4-20-25-14-18(30(20)15-16)22-27-19(26-17-2-1-5-24-13-17)12-21(28-22)32-11-8-29-6-9-31-10-7-29/h3-4,12,14-15,17,24H,1-2,5-11,13H2,(H,26,27,28)/t17-/m1/s1.
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 441.51 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 86692699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).