tert-butyl (2S,6R)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine

C51H68N12O2 — CID 158514426

IUPACtert-butyl (2S,6R)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
SMILESCc1cccnc1C1CCCC(c2cn3c(N4CCN(C)CC4)cccc3n2)N1.Cc1cccnc1[C@H]1CCC[C@@H](c2cn3c(N4CCN(C)CC4)cccc3n2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C28H38N6O2.C23H30N6/c1-20-9-8-14-29-26(20)23-11-6-10-22(34(23)27(35)36-28(2,3)4)21-19-33-24(30-21)12-7-13-25(33)32-17-15-31(5)16-18-32;1-17-6-5-11-24-23(17)19-8-3-7-18(25-19)20-16-29-21(26-20)9-4-10-22(29)28-14-12-27(2)13-15-28/h7-9,12-14,19,22-23H,6,10-11,15-18H2,1-5H3;4-6,9-11,16,18-19,25H,3,7-8,12-15H2,1-2H3/t22-,23+;/m0./s1
InChIKeyHLLLSNXYOURVOT-PEADMDKFSA-N
MW881.19 g/mol
LogP8.34
Rot. Bonds6

About tert-butyl (2S,6R)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine

tert-butyl (2S,6R)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine (PubChem CID 158514426) has the molecular formula C51H68N12O2 and a molecular weight of 881.19 g/mol. Its IUPAC name is tert-butyl (2S,6R)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Nametert-butyl (2S,6R)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
PubChem CID158514426
Molecular FormulaC51H68N12O2
Molecular Weight881.19 g/mol
Exact Mass880.56
IUPAC Nametert-butyl (2S,6R)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
SMILESCc1cccnc1C1CCCC(c2cn3c(N4CCN(C)CC4)cccc3n2)N1.Cc1cccnc1[C@H]1CCC[C@@H](c2cn3c(N4CCN(C)CC4)cccc3n2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C28H38N6O2.C23H30N6/c1-20-9-8-14-29-26(20)23-11-6-10-22(34(23)27(35)36-28(2,3)4)21-19-33-24(30-21)12-7-13-25(33)32-17-15-31(5)16-18-32;1-17-6-5-11-24-23(17)19-8-3-7-18(25-19)20-16-29-21(26-20)9-4-10-22(29)28-14-12-27(2)13-15-28/h7-9,12-14,19,22-23H,6,10-11,15-18H2,1-5H3;4-6,9-11,16,18-19,25H,3,7-8,12-15H2,1-2H3/t22-,23+;/m0./s1
InChIKeyHLLLSNXYOURVOT-PEADMDKFSA-N
XLogP8.34
TPSA114.91 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500881.19
LogP ≤ 58.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze tert-butyl (2S,6R)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine with MolForge

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Related Compounds

2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 44431994
1-[(1R,5S)-6-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 146316177
1-[7-[2-(Dimethylamino)pyrimidin-5-yl]-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea
CID 11384130
ethyl 4-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carboxylate
CID 44431998
N-piperidin-4-yl-6-[6-(1H-pyrrol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
CID 44448971
1,3-Bis(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 117975098
1-[(3S)-3-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 146316011
tert-butyl (3S)-3-[8-anilino-2-[4-(4-methylpiperazin-1-yl)anilino]purin-9-yl]pyrrolidine-1-carboxylate
CID 162652471
methyl 4-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 50996410
methyl (3S)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 58177242
methyl (3R)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 58177387
N-[1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]piperidin-4-yl]acetamide
CID 71138661

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,6R)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine?
The IUPAC name of tert-butyl (2S,6R)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine (CID 158514426) is tert-butyl (2S,6R)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for tert-butyl (2S,6R)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for tert-butyl (2S,6R)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine is Cc1cccnc1C1CCCC(c2cn3c(N4CCN(C)CC4)cccc3n2)N1.Cc1cccnc1[C@H]1CCC[C@@H](c2cn3c(N4CCN(C)CC4)cccc3n2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,6R)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine?
The InChIKey is HLLLSNXYOURVOT-PEADMDKFSA-N. The full InChI is InChI=1S/C28H38N6O2.C23H30N6/c1-20-9-8-14-29-26(20)23-11-6-10-22(34(23)27(35)36-28(2,3)4)21-19-33-24(30-21)12-7-13-25(33)32-17-15-31(5)16-18-32;1-17-6-5-11-24-23(17)19-8-3-7-18(25-19)20-16-29-21(26-20)9-4-10-22(29)28-14-12-27(2)13-15-28/h7-9,12-14,19,22-23H,6,10-11,15-18H2,1-5H3;4-6,9-11,16,18-19,25H,3,7-8,12-15H2,1-2H3/t22-,23+;/m0./s1.
What are the key properties of tert-butyl (2S,6R)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine?
tert-butyl (2S,6R)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 881.19 g/mol, XLogP of 8.34, 6 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,6R)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 158514426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).