[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl] 4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]piperidine-1-carboxylate

C24H36N6O4 — CID 156513522

IUPAC[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl] 4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]piperidine-1-carboxylate
SMILESCc1cc(NC2CCN(C(=O)OC3CN(C(=O)OC(C)(C)C)C3)CC2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C24H36N6O4/c1-15(2)30-14-25-20-19(11-16(3)26-21(20)30)27-17-7-9-28(10-8-17)22(31)33-18-12-29(13-18)23(32)34-24(4,5)6/h11,14-15,17-18H,7-10,12-13H2,1-6H3,(H,26,27)
InChIKeyFOCXHFXSABANKA-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.95
Rot. Bonds4

About [1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl] 4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]piperidine-1-carboxylate

[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl] 4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]piperidine-1-carboxylate (PubChem CID 156513522) has the molecular formula C24H36N6O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is [1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl] 4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Name[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl] 4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]piperidine-1-carboxylate
PubChem CID156513522
Molecular FormulaC24H36N6O4
Molecular Weight472.59 g/mol
Exact Mass472.28
IUPAC Name[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl] 4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]piperidine-1-carboxylate
SMILESCc1cc(NC2CCN(C(=O)OC3CN(C(=O)OC(C)(C)C)C3)CC2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C24H36N6O4/c1-15(2)30-14-25-20-19(11-16(3)26-21(20)30)27-17-7-9-28(10-8-17)22(31)33-18-12-29(13-18)23(32)34-24(4,5)6/h11,14-15,17-18H,7-10,12-13H2,1-6H3,(H,26,27)
InChIKeyFOCXHFXSABANKA-UHFFFAOYSA-N
XLogP3.95
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl] 4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (3S)-3-[methyl-[4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]piperidine-1-carbonyl]amino]pyrrolidine-1-carboxylate
CID 156513306
N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide
CID 156513323
[(3S)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl] 4-[[2-(cyclopropylamino)-9-propan-2-ylpurin-6-yl]amino]piperidine-1-carboxylate
CID 156513369
tert-butyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 121204750
tert-butyl 4-[(2,8-dimethyl-9-propan-2-ylpurin-6-yl)amino]piperidine-1-carboxylate
CID 156513318
tert-butyl (3S)-3-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]oxypyrrolidine-1-carboxylate
CID 95630220
tert-butyl 4-[(4-methylthiophen-3-yl)amino]piperidine-1-carboxylate
CID 167931452
tert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate
CID 57248020
tert-butyl (3R)-3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 153376550
[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl] 4-[[5-[(3R)-1-(1-fluorocyclopropanecarbonyl)piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate
CID 171798420
tert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate
CID 175109329
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl] 4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]piperidine-1-carboxylate?
The IUPAC name of [1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl] 4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]piperidine-1-carboxylate (CID 156513522) is [1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl] 4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for [1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl] 4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for [1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl] 4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]piperidine-1-carboxylate is Cc1cc(NC2CCN(C(=O)OC3CN(C(=O)OC(C)(C)C)C3)CC2)c2ncn(C(C)C)c2n1.
What is the InChIKey of [1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl] 4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]piperidine-1-carboxylate?
The InChIKey is FOCXHFXSABANKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O4/c1-15(2)30-14-25-20-19(11-16(3)26-21(20)30)27-17-7-9-28(10-8-17)22(31)33-18-12-29(13-18)23(32)34-24(4,5)6/h11,14-15,17-18H,7-10,12-13H2,1-6H3,(H,26,27).
What are the key properties of [1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl] 4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]piperidine-1-carboxylate?
[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl] 4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]piperidine-1-carboxylate has a molecular weight of 472.59 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl] 4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 156513522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).