tert-butyl 6-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-8-carbonyl)amino]indazole-1-carboxylate

C25H26N6O3 — CID 140654587

IUPACtert-butyl 6-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-8-carbonyl)amino]indazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ncc2ccc(NC(=O)C3NCCn4c(-c5ccccc5)cnc43)cc21
InChIInChI=1S/C25H26N6O3/c1-25(2,3)34-24(33)31-19-13-18(10-9-17(19)14-28-31)29-23(32)21-22-27-15-20(30(22)12-11-26-21)16-7-5-4-6-8-16/h4-10,13-15,21,26H,11-12H2,1-3H3,(H,29,32)
InChIKeyIADCSSDQZNNHGR-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.97
Rot. Bonds3

About tert-butyl 6-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-8-carbonyl)amino]indazole-1-carboxylate

tert-butyl 6-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-8-carbonyl)amino]indazole-1-carboxylate (PubChem CID 140654587) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is tert-butyl 6-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-8-carbonyl)amino]indazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-8-carbonyl)amino]indazole-1-carboxylate
PubChem CID140654587
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Nametert-butyl 6-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-8-carbonyl)amino]indazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ncc2ccc(NC(=O)C3NCCn4c(-c5ccccc5)cnc43)cc21
InChIInChI=1S/C25H26N6O3/c1-25(2,3)34-24(33)31-19-13-18(10-9-17(19)14-28-31)29-23(32)21-22-27-15-20(30(22)12-11-26-21)16-7-5-4-6-8-16/h4-10,13-15,21,26H,11-12H2,1-3H3,(H,29,32)
InChIKeyIADCSSDQZNNHGR-UHFFFAOYSA-N
XLogP3.97
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl 6-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-8-carbonyl)amino]indazole-1-carboxylate with MolForge

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Related Compounds

tert-butyl 5-[[2-[3-(pyrrolidine-2-carbonylamino)phenyl]quinazolin-4-yl]amino]indazole-1-carboxylate
CID 68791723
tert-butyl 5-[[2-[3-(piperidine-4-carbonylamino)phenyl]quinazolin-4-yl]amino]indazole-1-carboxylate
CID 59361889
tert-butyl 5-[(1-benzylpiperidin-3-yl)amino]indazole-1-carboxylate
CID 70979242
tert-butyl 6-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]indazole-1-carboxylate
CID 171615105
tert-butyl 5-[[(3S)-piperidin-3-yl]amino]indazole-1-carboxylate
CID 97056352
tert-butyl 6-(trifluoromethylsulfonyloxy)indazole-1-carboxylate
CID 54533813
tert-butyl 5-[[1-(4-acetamidophenyl)piperidin-3-yl]amino]indazole-1-carboxylate;molecular hydrogen
CID 143370372
tert-butyl (2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 11937062
tert-butyl 5-[[2-[3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]quinazolin-4-yl]amino]indazole-1-carboxylate
CID 59361937
tert-butyl 5-hydroxyindazole-1-carboxylate
CID 118798018
tert-butyl 2-phenylpyrrolo[3,2-c]pyridine-1-carboxylate
CID 69193959
tert-butyl (4R)-4-(naphthalen-2-ylcarbamoyl)-1,3-thiazolidine-3-carboxylate
CID 96564763

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-8-carbonyl)amino]indazole-1-carboxylate?
The IUPAC name of tert-butyl 6-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-8-carbonyl)amino]indazole-1-carboxylate (CID 140654587) is tert-butyl 6-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-8-carbonyl)amino]indazole-1-carboxylate.
What is the SMILES notation for tert-butyl 6-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-8-carbonyl)amino]indazole-1-carboxylate?
The canonical SMILES for tert-butyl 6-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-8-carbonyl)amino]indazole-1-carboxylate is CC(C)(C)OC(=O)n1ncc2ccc(NC(=O)C3NCCn4c(-c5ccccc5)cnc43)cc21.
What is the InChIKey of tert-butyl 6-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-8-carbonyl)amino]indazole-1-carboxylate?
The InChIKey is IADCSSDQZNNHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-25(2,3)34-24(33)31-19-13-18(10-9-17(19)14-28-31)29-23(32)21-22-27-15-20(30(22)12-11-26-21)16-7-5-4-6-8-16/h4-10,13-15,21,26H,11-12H2,1-3H3,(H,29,32).
What are the key properties of tert-butyl 6-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-8-carbonyl)amino]indazole-1-carboxylate?
tert-butyl 6-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-8-carbonyl)amino]indazole-1-carboxylate has a molecular weight of 458.52 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-8-carbonyl)amino]indazole-1-carboxylate is sourced from PubChem (CID 140654587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).