tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate

C22H27FN6O2 — CID 67240799

IUPACtert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCc1cnc(-c2cnc3ccc(F)cn23)nc1N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C22H27FN6O2/c1-14-10-25-20(17-11-24-18-8-7-15(23)12-29(17)18)27-19(14)26-16-6-5-9-28(13-16)21(30)31-22(2,3)4/h7-8,10-12,16H,5-6,9,13H2,1-4H3,(H,25,26,27)/t16-/m1/s1
InChIKeyVEMOMQRXCMFJQV-MRXNPFEDSA-N
MW426.50 g/mol
LogP4.05
Rot. Bonds3

About tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate

tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate (PubChem CID 67240799) has the molecular formula C22H27FN6O2 and a molecular weight of 426.50 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
PubChem CID67240799
Molecular FormulaC22H27FN6O2
Molecular Weight426.50 g/mol
Exact Mass426.22
IUPAC Nametert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCc1cnc(-c2cnc3ccc(F)cn23)nc1N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C22H27FN6O2/c1-14-10-25-20(17-11-24-18-8-7-15(23)12-29(17)18)27-19(14)26-16-6-5-9-28(13-16)21(30)31-22(2,3)4/h7-8,10-12,16H,5-6,9,13H2,1-4H3,(H,25,26,27)/t16-/m1/s1
InChIKeyVEMOMQRXCMFJQV-MRXNPFEDSA-N
XLogP4.05
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate (CID 67240799) is tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate is Cc1cnc(-c2cnc3ccc(F)cn23)nc1N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate?
The InChIKey is VEMOMQRXCMFJQV-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27FN6O2/c1-14-10-25-20(17-11-24-18-8-7-15(23)12-29(17)18)27-19(14)26-16-6-5-9-28(13-16)21(30)31-22(2,3)4/h7-8,10-12,16H,5-6,9,13H2,1-4H3,(H,25,26,27)/t16-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate?
tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 426.50 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 67240799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).