tert-butyl 5-[8-[(5-carbamoyl-4-methylthiophen-2-yl)amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C26H30N8O3S — CID 58873889

IUPACtert-butyl 5-[8-[(5-carbamoyl-4-methylthiophen-2-yl)amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1cc(Nc2nc(C3=CCCN(C(=O)OC(C)(C)C)C3)cn3c(-c4cnn(C)c4)cnc23)sc1C(N)=O
InChIInChI=1S/C26H30N8O3S/c1-15-9-20(38-21(15)22(27)35)31-23-24-28-11-19(17-10-29-32(5)12-17)34(24)14-18(30-23)16-7-6-8-33(13-16)25(36)37-26(2,3)4/h7,9-12,14H,6,8,13H2,1-5H3,(H2,27,35)(H,30,31)
InChIKeyIHWCGSJXRUHRGU-UHFFFAOYSA-N
MW534.65 g/mol
LogP4.37
Rot. Bonds5

About tert-butyl 5-[8-[(5-carbamoyl-4-methylthiophen-2-yl)amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 5-[8-[(5-carbamoyl-4-methylthiophen-2-yl)amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 58873889) has the molecular formula C26H30N8O3S and a molecular weight of 534.65 g/mol. Its IUPAC name is tert-butyl 5-[8-[(5-carbamoyl-4-methylthiophen-2-yl)amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[8-[(5-carbamoyl-4-methylthiophen-2-yl)amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID58873889
Molecular FormulaC26H30N8O3S
Molecular Weight534.65 g/mol
Exact Mass534.22
IUPAC Nametert-butyl 5-[8-[(5-carbamoyl-4-methylthiophen-2-yl)amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1cc(Nc2nc(C3=CCCN(C(=O)OC(C)(C)C)C3)cn3c(-c4cnn(C)c4)cnc23)sc1C(N)=O
InChIInChI=1S/C26H30N8O3S/c1-15-9-20(38-21(15)22(27)35)31-23-24-28-11-19(17-10-29-32(5)12-17)34(24)14-18(30-23)16-7-6-8-33(13-16)25(36)37-26(2,3)4/h7,9-12,14H,6,8,13H2,1-5H3,(H2,27,35)(H,30,31)
InChIKeyIHWCGSJXRUHRGU-UHFFFAOYSA-N
XLogP4.37
TPSA132.67 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.65
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 5-[8-[(5-carbamoyl-4-methylthiophen-2-yl)amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[8-[(5-carbamoyl-4-methylthiophen-2-yl)amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 5-[8-[(5-carbamoyl-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 58873889) is tert-butyl 5-[8-[(5-carbamoyl-4-methylthiophen-2-yl)amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-[8-[(5-carbamoyl-4-methylthiophen-2-yl)amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5-[8-[(5-carbamoyl-4-methylthiophen-2-yl)amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is Cc1cc(Nc2nc(C3=CCCN(C(=O)OC(C)(C)C)C3)cn3c(-c4cnn(C)c4)cnc23)sc1C(N)=O.
What is the InChIKey of tert-butyl 5-[8-[(5-carbamoyl-4-methylthiophen-2-yl)amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is IHWCGSJXRUHRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O3S/c1-15-9-20(38-21(15)22(27)35)31-23-24-28-11-19(17-10-29-32(5)12-17)34(24)14-18(30-23)16-7-6-8-33(13-16)25(36)37-26(2,3)4/h7,9-12,14H,6,8,13H2,1-5H3,(H2,27,35)(H,30,31).
What are the key properties of tert-butyl 5-[8-[(5-carbamoyl-4-methylthiophen-2-yl)amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 5-[8-[(5-carbamoyl-4-methylthiophen-2-yl)amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 534.65 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[8-[(5-carbamoyl-4-methylthiophen-2-yl)amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 58873889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).