tert-butyl 3-[1-[5-methyl-8-[(2S)-2-methylazetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]imidazol-4-yl]azetidine-1-carboxylate

C22H29N7O2 — CID 172621721

IUPACtert-butyl 3-[1-[5-methyl-8-[(2S)-2-methylazetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]imidazol-4-yl]azetidine-1-carboxylate
SMILESCc1c(-n2cnc(C3CN(C(=O)OC(C)(C)C)C3)c2)nc(N2CC[C@@H]2C)c2nccn12
InChIInChI=1S/C22H29N7O2/c1-14-6-8-28(14)20-19-23-7-9-29(19)15(2)18(25-20)27-12-17(24-13-27)16-10-26(11-16)21(30)31-22(3,4)5/h7,9,12-14,16H,6,8,10-11H2,1-5H3/t14-/m0/s1
InChIKeyACTJPSYIYBCUMF-AWEZNQCLSA-N
MW423.52 g/mol
LogP3.16
Rot. Bonds3

About tert-butyl 3-[1-[5-methyl-8-[(2S)-2-methylazetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]imidazol-4-yl]azetidine-1-carboxylate

tert-butyl 3-[1-[5-methyl-8-[(2S)-2-methylazetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]imidazol-4-yl]azetidine-1-carboxylate (PubChem CID 172621721) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is tert-butyl 3-[1-[5-methyl-8-[(2S)-2-methylazetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]imidazol-4-yl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-[5-methyl-8-[(2S)-2-methylazetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]imidazol-4-yl]azetidine-1-carboxylate
PubChem CID172621721
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC Nametert-butyl 3-[1-[5-methyl-8-[(2S)-2-methylazetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]imidazol-4-yl]azetidine-1-carboxylate
SMILESCc1c(-n2cnc(C3CN(C(=O)OC(C)(C)C)C3)c2)nc(N2CC[C@@H]2C)c2nccn12
InChIInChI=1S/C22H29N7O2/c1-14-6-8-28(14)20-19-23-7-9-29(19)15(2)18(25-20)27-12-17(24-13-27)16-10-26(11-16)21(30)31-22(3,4)5/h7,9,12-14,16H,6,8,10-11H2,1-5H3/t14-/m0/s1
InChIKeyACTJPSYIYBCUMF-AWEZNQCLSA-N
XLogP3.16
TPSA80.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 3-[1-[5-methyl-8-[(2S)-2-methylazetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]imidazol-4-yl]azetidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-(3-ethenylimidazo[1,2-a]pyrazin-8-yl)oxypiperidine-1-carboxylate
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tert-butyl 3-(1,8-naphthyridin-2-yl)azetidine-1-carboxylate
CID 66641449
tert-butyl 4-(6-methylimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylate
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tert-butyl 3-(6-methylpyridazin-3-yl)azetidine-1-carboxylate
CID 168895574
tert-butyl (3S)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate
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tert-butyl 3-(5-bromo-2-pyridinyl)azetidine-1-carboxylate
CID 140882194
tert-butyl (3S)-4-(5-chloro-3-pyrrolidin-1-yl-2-pyridinyl)-3-methylpiperazine-1-carboxylate
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tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate
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tert-butyl (3R)-3-(6-chloro-2-methylpyrimidin-4-yl)piperidine-1-carboxylate
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tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
CID 163230097
2-[4-[8-[(2S)-2-methylazetidin-1-yl]-5-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone
CID 172621636

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-[5-methyl-8-[(2S)-2-methylazetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]imidazol-4-yl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-[5-methyl-8-[(2S)-2-methylazetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]imidazol-4-yl]azetidine-1-carboxylate (CID 172621721) is tert-butyl 3-[1-[5-methyl-8-[(2S)-2-methylazetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]imidazol-4-yl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-[5-methyl-8-[(2S)-2-methylazetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]imidazol-4-yl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-[5-methyl-8-[(2S)-2-methylazetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]imidazol-4-yl]azetidine-1-carboxylate is Cc1c(-n2cnc(C3CN(C(=O)OC(C)(C)C)C3)c2)nc(N2CC[C@@H]2C)c2nccn12.
What is the InChIKey of tert-butyl 3-[1-[5-methyl-8-[(2S)-2-methylazetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]imidazol-4-yl]azetidine-1-carboxylate?
The InChIKey is ACTJPSYIYBCUMF-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H29N7O2/c1-14-6-8-28(14)20-19-23-7-9-29(19)15(2)18(25-20)27-12-17(24-13-27)16-10-26(11-16)21(30)31-22(3,4)5/h7,9,12-14,16H,6,8,10-11H2,1-5H3/t14-/m0/s1.
What are the key properties of tert-butyl 3-[1-[5-methyl-8-[(2S)-2-methylazetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]imidazol-4-yl]azetidine-1-carboxylate?
tert-butyl 3-[1-[5-methyl-8-[(2S)-2-methylazetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]imidazol-4-yl]azetidine-1-carboxylate has a molecular weight of 423.52 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-[5-methyl-8-[(2S)-2-methylazetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]imidazol-4-yl]azetidine-1-carboxylate is sourced from PubChem (CID 172621721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).