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

C28H34N8O4S2 — CID 58873884

IUPACtert-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
SMILESCc1cc(Nc2nc(C3=CCCN(C(=O)OC(C)(C)C)C3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)NC1CC1
InChIInChI=1S/C28H34N8O4S2/c1-17-11-23(41-26(17)42(38,39)33-20-8-9-20)32-24-25-29-13-22(19-12-30-34(5)14-19)36(25)16-21(31-24)18-7-6-10-35(15-18)27(37)40-28(2,3)4/h7,11-14,16,20,33H,6,8-10,15H2,1-5H3,(H,31,32)
InChIKeyPKBXCMWEDCVWPR-UHFFFAOYSA-N
MW610.77 g/mol
LogP4.71
Rot. Bonds7

About 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

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 (PubChem CID 58873884) has the molecular formula C28H34N8O4S2 and a molecular weight of 610.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID58873884
Molecular FormulaC28H34N8O4S2
Molecular Weight610.77 g/mol
Exact Mass610.21
IUPAC Nametert-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
SMILESCc1cc(Nc2nc(C3=CCCN(C(=O)OC(C)(C)C)C3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)NC1CC1
InChIInChI=1S/C28H34N8O4S2/c1-17-11-23(41-26(17)42(38,39)33-20-8-9-20)32-24-25-29-13-22(19-12-30-34(5)14-19)36(25)16-21(31-24)18-7-6-10-35(15-18)27(37)40-28(2,3)4/h7,11-14,16,20,33H,6,8-10,15H2,1-5H3,(H,31,32)
InChIKeyPKBXCMWEDCVWPR-UHFFFAOYSA-N
XLogP4.71
TPSA135.75 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.77
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

tert-butyl 5-[8-[[5-[(dimethylamino)methyl]-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 143460595
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
N-[4-methyl-5-(2-methyl-1,5-dihydropyrazol-4-yl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine
CID 143460462
tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazine-6-carbonyl]amino]piperidine-1-carboxylate
CID 58874037
N,3-dimethyl-5-[[3-(2-methyl-1,5-dihydropyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
CID 143460912
3-tert-butyl-N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 58364934
3-methyl-5-[[3-(2-methyl-1,5-dihydropyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 71197074
3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfinic acid
CID 71196606
N-[(Z)-4-[8-[(4-methyl-5-methylsulfanylthiophen-2-yl)amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-5-[(2-methylpropan-2-yl)oxy]pent-3-enyl]formamide
CID 143465046
tert-butyl 4-[[2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride
CID 161360316
N-[3,6-bis(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-(3,6-dibromoimidazo[1,2-a]pyrazin-8-yl)-3-methyl-1,2-thiazol-5-amine
CID 157371798
N-[3,6-bis(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;3-methyl-N-[3-(2-methyl-1H-pyrazol-2-ium-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile
CID 158081584

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Nc2nc(C3=CCCN(C(=O)OC(C)(C)C)C3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)NC1CC1.
What is the InChIKey of 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?
The InChIKey is PKBXCMWEDCVWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8O4S2/c1-17-11-23(41-26(17)42(38,39)33-20-8-9-20)32-24-25-29-13-22(19-12-30-34(5)14-19)36(25)16-21(31-24)18-7-6-10-35(15-18)27(37)40-28(2,3)4/h7,11-14,16,20,33H,6,8-10,15H2,1-5H3,(H,31,32).
What are the key properties of 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?
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 has a molecular weight of 610.77 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58873884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).