[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone

C21H19FN8O — CID 53260783

IUPAC[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C21H19FN8O/c22-15-3-4-19-26-10-17(30(19)11-15)20-25-6-5-18(28-20)27-16-2-1-7-29(12-16)21(31)14-8-23-13-24-9-14/h3-6,8-11,13,16H,1-2,7,12H2,(H,25,27,28)/t16-/m1/s1
InChIKeyRXLXHOOVBMBKGC-MRXNPFEDSA-N
MW418.44 g/mol
LogP2.44
Rot. Bonds4

About [(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone

[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone (PubChem CID 53260783) has the molecular formula C21H19FN8O and a molecular weight of 418.44 g/mol. Its IUPAC name is [(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone
PubChem CID53260783
Molecular FormulaC21H19FN8O
Molecular Weight418.44 g/mol
Exact Mass418.17
IUPAC Name[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C21H19FN8O/c22-15-3-4-19-26-10-17(30(19)11-15)20-25-6-5-18(28-20)27-16-2-1-7-29(12-16)21(31)14-8-23-13-24-9-14/h3-6,8-11,13,16H,1-2,7,12H2,(H,25,27,28)/t16-/m1/s1
InChIKeyRXLXHOOVBMBKGC-MRXNPFEDSA-N
XLogP2.44
TPSA101.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone?
The IUPAC name of [(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone (CID 53260783) is [(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone is O=C(c1cncnc1)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1.
What is the InChIKey of [(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone?
The InChIKey is RXLXHOOVBMBKGC-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H19FN8O/c22-15-3-4-19-26-10-17(30(19)11-15)20-25-6-5-18(28-20)27-16-2-1-7-29(12-16)21(31)14-8-23-13-24-9-14/h3-6,8-11,13,16H,1-2,7,12H2,(H,25,27,28)/t16-/m1/s1.
What are the key properties of [(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone?
[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone has a molecular weight of 418.44 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 53260783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).