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

C22H27FN6O2 — CID 86692658

IUPACethyl 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C22H27FN6O2/c1-4-31-21(30)22(2,3)28-11-5-6-16(14-28)26-18-9-10-24-20(27-18)17-12-25-19-8-7-15(23)13-29(17)19/h7-10,12-13,16H,4-6,11,14H2,1-3H3,(H,24,26,27)/t16-/m1/s1
InChIKeyKRBRXGYRDIGTDB-MRXNPFEDSA-N
MW426.50 g/mol
LogP3.15
Rot. Bonds6

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

ethyl 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate (PubChem CID 86692658) has the molecular formula C22H27FN6O2 and a molecular weight of 426.50 g/mol. Its IUPAC name is ethyl 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate
PubChem CID86692658
Molecular FormulaC22H27FN6O2
Molecular Weight426.50 g/mol
Exact Mass426.22
IUPAC Nameethyl 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C22H27FN6O2/c1-4-31-21(30)22(2,3)28-11-5-6-16(14-28)26-18-9-10-24-20(27-18)17-12-25-19-8-7-15(23)13-29(17)19/h7-10,12-13,16H,4-6,11,14H2,1-3H3,(H,24,26,27)/t16-/m1/s1
InChIKeyKRBRXGYRDIGTDB-MRXNPFEDSA-N
XLogP3.15
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate?
The IUPAC name of ethyl 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate (CID 86692658) is ethyl 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate is CCOC(=O)C(C)(C)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1.
What is the InChIKey of ethyl 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate?
The InChIKey is KRBRXGYRDIGTDB-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27FN6O2/c1-4-31-21(30)22(2,3)28-11-5-6-16(14-28)26-18-9-10-24-20(27-18)17-12-25-19-8-7-15(23)13-29(17)19/h7-10,12-13,16H,4-6,11,14H2,1-3H3,(H,24,26,27)/t16-/m1/s1.
What are the key properties of ethyl 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate?
ethyl 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate has a molecular weight of 426.50 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate is sourced from PubChem (CID 86692658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).