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

C22H25N7O2 — CID 67241993

IUPACtert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](Nc2ccnc(-c3cnc4ccc(C#N)cn34)n2)C1
InChIInChI=1S/C22H25N7O2/c1-22(2,3)31-21(30)28-10-4-5-16(14-28)26-18-8-9-24-20(27-18)17-12-25-19-7-6-15(11-23)13-29(17)19/h6-9,12-13,16H,4-5,10,14H2,1-3H3,(H,24,26,27)/t16-/m0/s1
InChIKeySHJOPRLZCGLBAI-INIZCTEOSA-N
MW419.49 g/mol
LogP3.47
Rot. Bonds3

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

tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate (PubChem CID 67241993) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
PubChem CID67241993
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Nametert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](Nc2ccnc(-c3cnc4ccc(C#N)cn34)n2)C1
InChIInChI=1S/C22H25N7O2/c1-22(2,3)31-21(30)28-10-4-5-16(14-28)26-18-8-9-24-20(27-18)17-12-25-19-7-6-15(11-23)13-29(17)19/h6-9,12-13,16H,4-5,10,14H2,1-3H3,(H,24,26,27)/t16-/m0/s1
InChIKeySHJOPRLZCGLBAI-INIZCTEOSA-N
XLogP3.47
TPSA108.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 53253012
3-[4-[[(3R)-1-(5-cyanopyridine-2-carbonyl)piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 53253010
3-[4-[[1-(2-cyanocyclopropanecarbonyl)piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 67256302
tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]oxyamino]piperidine-1-carboxylate
CID 87321784
(1-aminocyclopropyl)-[(3R)-3-[[2-(6-ethynylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 88937669
tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[(2S)-2-[hydroxy(methoxy)methyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 163698565
tert-butyl (3R)-3-[(5-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 66884944
2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoic acid
CID 67240178
(3S)-2-butyl-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
CID 67241136
ethyl 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate
CID 86692658
tert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
CID 58303375
1-[(3R)-3-[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 141299002

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate (CID 67241993) is tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccnc(-c3cnc4ccc(C#N)cn34)n2)C1.
What is the InChIKey of tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The InChIKey is SHJOPRLZCGLBAI-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-22(2,3)31-21(30)28-10-4-5-16(14-28)26-18-8-9-24-20(27-18)17-12-25-19-7-6-15(11-23)13-29(17)19/h6-9,12-13,16H,4-5,10,14H2,1-3H3,(H,24,26,27)/t16-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 419.49 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 67241993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).