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

C23H30FN7O2 — CID 86692686

IUPACtert-butyl (3R)-3-[[6-(dimethylamino)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCN(C)c1cc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc(-c2cnc3ccc(F)cn23)n1
InChIInChI=1S/C23H30FN7O2/c1-23(2,3)33-22(32)30-10-6-7-16(14-30)26-18-11-20(29(4)5)28-21(27-18)17-12-25-19-9-8-15(24)13-31(17)19/h8-9,11-13,16H,6-7,10,14H2,1-5H3,(H,26,27,28)/t16-/m1/s1
InChIKeyRESWOVJOKRAKCK-MRXNPFEDSA-N
MW455.54 g/mol
LogP3.81
Rot. Bonds4

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

tert-butyl (3R)-3-[[6-(dimethylamino)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate (PubChem CID 86692686) has the molecular formula C23H30FN7O2 and a molecular weight of 455.54 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[6-(dimethylamino)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[6-(dimethylamino)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
PubChem CID86692686
Molecular FormulaC23H30FN7O2
Molecular Weight455.54 g/mol
Exact Mass455.24
IUPAC Nametert-butyl (3R)-3-[[6-(dimethylamino)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCN(C)c1cc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc(-c2cnc3ccc(F)cn23)n1
InChIInChI=1S/C23H30FN7O2/c1-23(2,3)33-22(32)30-10-6-7-16(14-30)26-18-11-20(29(4)5)28-21(27-18)17-12-25-19-9-8-15(24)13-31(17)19/h8-9,11-13,16H,6-7,10,14H2,1-5H3,(H,26,27,28)/t16-/m1/s1
InChIKeyRESWOVJOKRAKCK-MRXNPFEDSA-N
XLogP3.81
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[6-(dimethylamino)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[6-(dimethylamino)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate (CID 86692686) is tert-butyl (3R)-3-[[6-(dimethylamino)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[6-(dimethylamino)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[6-(dimethylamino)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate is CN(C)c1cc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc(-c2cnc3ccc(F)cn23)n1.
What is the InChIKey of tert-butyl (3R)-3-[[6-(dimethylamino)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The InChIKey is RESWOVJOKRAKCK-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H30FN7O2/c1-23(2,3)33-22(32)30-10-6-7-16(14-30)26-18-11-20(29(4)5)28-21(27-18)17-12-25-19-9-8-15(24)13-31(17)19/h8-9,11-13,16H,6-7,10,14H2,1-5H3,(H,26,27,28)/t16-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[6-(dimethylamino)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
tert-butyl (3R)-3-[[6-(dimethylamino)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 455.54 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[6-(dimethylamino)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 86692686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).