tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazine-6-carbonyl]amino]piperidine-1-carboxylate

C22H29N7O5S — CID 58874037

IUPACtert-butyl 3-[[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazine-6-carbonyl]amino]piperidine-1-carboxylate
SMILESCn1cc(-c2cnc3c(S(C)(=O)=O)nc(C(=O)NC4CCCN(C(=O)OC(C)(C)C)C4)cn23)cn1
InChIInChI=1S/C22H29N7O5S/c1-22(2,3)34-21(31)28-8-6-7-15(12-28)25-19(30)16-13-29-17(14-9-24-27(4)11-14)10-23-18(29)20(26-16)35(5,32)33/h9-11,13,15H,6-8,12H2,1-5H3,(H,25,30)
InChIKeyNQSGUUHZFJQOFH-UHFFFAOYSA-N
MW503.59 g/mol
LogP1.66
Rot. Bonds4

About tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazine-6-carbonyl]amino]piperidine-1-carboxylate

tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazine-6-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 58874037) has the molecular formula C22H29N7O5S and a molecular weight of 503.59 g/mol. Its IUPAC name is tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazine-6-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazine-6-carbonyl]amino]piperidine-1-carboxylate
PubChem CID58874037
Molecular FormulaC22H29N7O5S
Molecular Weight503.59 g/mol
Exact Mass503.20
IUPAC Nametert-butyl 3-[[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazine-6-carbonyl]amino]piperidine-1-carboxylate
SMILESCn1cc(-c2cnc3c(S(C)(=O)=O)nc(C(=O)NC4CCCN(C(=O)OC(C)(C)C)C4)cn23)cn1
InChIInChI=1S/C22H29N7O5S/c1-22(2,3)34-21(31)28-8-6-7-15(12-28)25-19(30)16-13-29-17(14-9-24-27(4)11-14)10-23-18(29)20(26-16)35(5,32)33/h9-11,13,15H,6-8,12H2,1-5H3,(H,25,30)
InChIKeyNQSGUUHZFJQOFH-UHFFFAOYSA-N
XLogP1.66
TPSA140.79 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.59
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazine-6-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[[3-methoxy-4-(1-methylpyrazol-4-yl)benzoyl]amino]pyrrolidine-1-carboxylate
CID 175084829
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496
tert-butyl 3-[8-[[5-(dimethylsulfamoyl)-4-methylthiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]piperidine-1-carboxylate;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
CID 161256757
tert-butyl 5-[8-[[5-(cyclopropylsulfamoyl)-4-methylthiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58873884
tert-butyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)piperidine-1-carboxylate
CID 71630800
tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate
CID 22357480
tert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 122598194
tert-butyl (3S)-3-[(3-amino-5-ethynylthiophene-2-carbonyl)amino]piperidine-1-carboxylate
CID 130358457
tert-butyl (3S)-3-[[(E)-but-2-enoyl]amino]piperidine-1-carboxylate
CID 155353442
tert-butyl 3-[(4,5-diamino-2-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 166815279
tert-butyl (3S)-3-[(2-bromo-1,3-thiazol-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 146365936
tert-butyl 4-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 134512059

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazine-6-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazine-6-carbonyl]amino]piperidine-1-carboxylate (CID 58874037) is tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazine-6-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazine-6-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazine-6-carbonyl]amino]piperidine-1-carboxylate is Cn1cc(-c2cnc3c(S(C)(=O)=O)nc(C(=O)NC4CCCN(C(=O)OC(C)(C)C)C4)cn23)cn1.
What is the InChIKey of tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazine-6-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is NQSGUUHZFJQOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O5S/c1-22(2,3)34-21(31)28-8-6-7-15(12-28)25-19(30)16-13-29-17(14-9-24-27(4)11-14)10-23-18(29)20(26-16)35(5,32)33/h9-11,13,15H,6-8,12H2,1-5H3,(H,25,30).
What are the key properties of tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazine-6-carbonyl]amino]piperidine-1-carboxylate?
tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazine-6-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 503.59 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazine-6-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 58874037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).