tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3S)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile

C61H69N21O5 — CID 161463944

IUPACtert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3S)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCC(C)(C)OC(=O)N1CCC[C@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccnc(-c3cnc4ccc(C#N)cn34)n2)C1.N#Cc1ccc2ncc(-c3nccc(=O)[nH]3)n2c1.N#Cc1ccc2ncc(-c3nccc(N[C@H]4CCCNC4)n3)n2c1
InChIInChI=1S/C22H25N7O2.C17H17N7.C12H7N5O.C10H20N2O2/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;18-8-12-3-4-16-21-10-14(24(16)11-12)17-20-7-5-15(23-17)22-13-2-1-6-19-9-13;13-5-8-1-2-10-15-6-9(17(10)7-8)12-14-4-3-11(18)16-12;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h6-9,12-13,16H,4-5,10,14H2,1-3H3,(H,24,26,27);3-5,7,10-11,13,19H,1-2,6,9H2,(H,20,22,23);1-4,6-7H,(H,14,16,18);8H,4-7,11H2,1-3H3/t16-;13-;;8-/m00.0/s1
InChIKeyWCEHIAVRQANHBG-TXQXVWSESA-N
MW1176.36 g/mol
LogP7.60
Rot. Bonds7

About tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3S)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile

tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3S)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 161463944) has the molecular formula C61H69N21O5 and a molecular weight of 1176.36 g/mol. Its IUPAC name is tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3S)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Nametert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3S)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID161463944
Molecular FormulaC61H69N21O5
Molecular Weight1176.36 g/mol
Exact Mass1175.58
IUPAC Nametert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3S)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCC(C)(C)OC(=O)N1CCC[C@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccnc(-c3cnc4ccc(C#N)cn34)n2)C1.N#Cc1ccc2ncc(-c3nccc(=O)[nH]3)n2c1.N#Cc1ccc2ncc(-c3nccc(N[C@H]4CCCNC4)n3)n2c1
InChIInChI=1S/C22H25N7O2.C17H17N7.C12H7N5O.C10H20N2O2/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;18-8-12-3-4-16-21-10-14(24(16)11-12)17-20-7-5-15(23-17)22-13-2-1-6-19-9-13;13-5-8-1-2-10-15-6-9(17(10)7-8)12-14-4-3-11(18)16-12;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h6-9,12-13,16H,4-5,10,14H2,1-3H3,(H,24,26,27);3-5,7,10-11,13,19H,1-2,6,9H2,(H,20,22,23);1-4,6-7H,(H,14,16,18);8H,4-7,11H2,1-3H3/t16-;13-;;8-/m00.0/s1
InChIKeyWCEHIAVRQANHBG-TXQXVWSESA-N
XLogP7.60
TPSA341.77 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds7
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001176.36
LogP ≤ 57.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3S)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile with MolForge

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Related Compounds

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CID 155558588
tert-butyl 4-[5-[6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-9-pentan-3-ylpurin-2-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 155562186
tert-butyl 4-[5-[6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-9-(oxan-2-yl)purin-2-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 155511759
tert-butyl 4-[5-[9-cyclopentyl-6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]purin-2-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 155514358
Tert-butyl 3-[[[2-[[(4-oxopyrido[1,2-a]pyrimidine-2-carbonyl)amino]methyl]imidazo[1,2-a]pyridin-6-yl]methylamino]methyl]piperidine-1-carboxylate
CID 155167507
Tert-butyl 2-[[[2-[[(4-oxopyrido[1,2-a]pyrimidine-2-carbonyl)amino]methyl]imidazo[1,2-a]pyridin-6-yl]methylamino]methyl]piperidine-1-carboxylate
CID 155167778
3-{4-[((3R)-1-{[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]carbonyl}piperidin-3-yl)amino]pyrimidin-2-yl}imidazo[1,2-a]pyridine-6-carbonitrile
CID 53253013
tert-butyl (2S)-4-[6-[(8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]-2-ethylpiperazine-1-carboxylate
CID 58299696
4-[2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]piperazine-1-carboxylic acid
CID 67260898
tert-butyl 3-[3-[(1S)-1-[[5-cyano-4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethyl]anilino]pyrrolidine-1-carboxylate
CID 68687045
Tert-butyl 5-[7-[2-[(2-fluorophenyl)methylamino]-4-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 68910471
tert-butyl N-[4-[[4-fluoro-4-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]carbamate
CID 71017036

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3S)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3S)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile (CID 161463944) is tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3S)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3S)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3S)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile is CC(C)(C)OC(=O)N1CCC[C@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccnc(-c3cnc4ccc(C#N)cn34)n2)C1.N#Cc1ccc2ncc(-c3nccc(=O)[nH]3)n2c1.N#Cc1ccc2ncc(-c3nccc(N[C@H]4CCCNC4)n3)n2c1.
What is the InChIKey of tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3S)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is WCEHIAVRQANHBG-TXQXVWSESA-N. The full InChI is InChI=1S/C22H25N7O2.C17H17N7.C12H7N5O.C10H20N2O2/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;18-8-12-3-4-16-21-10-14(24(16)11-12)17-20-7-5-15(23-17)22-13-2-1-6-19-9-13;13-5-8-1-2-10-15-6-9(17(10)7-8)12-14-4-3-11(18)16-12;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h6-9,12-13,16H,4-5,10,14H2,1-3H3,(H,24,26,27);3-5,7,10-11,13,19H,1-2,6,9H2,(H,20,22,23);1-4,6-7H,(H,14,16,18);8H,4-7,11H2,1-3H3/t16-;13-;;8-/m00.0/s1.
What are the key properties of tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3S)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3S)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 1176.36 g/mol, XLogP of 7.60, 7 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3S)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 161463944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).