4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[6-[methyl(oxan-4-yl)amino]-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one

C57H60N16O9S3 — CID 159581496

IUPAC4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[6-[methyl(oxan-4-yl)amino]-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCN(C(=O)N1CCC(c2cnn(C3=CC(=O)NS3=O)c2)CC1)c1ccccc1.CN(c1ccc(-c2cnn(C3=CC(=O)NS3=O)c2)cn1)C1CCOCC1.CN1CCOc2cc(-c3ccc(CCc4cnn(C5=CC(=O)NS5=O)c4)cn3)cnc21
InChIInChI=1S/C21H20N6O3S.C19H21N5O3S.C17H19N5O3S/c1-26-6-7-30-18-8-16(12-23-21(18)26)17-5-4-14(10-22-17)2-3-15-11-24-27(13-15)20-9-19(28)25-31(20)29;1-22(16-5-3-2-4-6-16)19(26)23-9-7-14(8-10-23)15-12-20-24(13-15)18-11-17(25)21-28(18)27;1-21(14-4-6-25-7-5-14)15-3-2-12(9-18-15)13-10-19-22(11-13)17-8-16(23)20-26(17)24/h4-5,8-13H,2-3,6-7H2,1H3,(H,25,28);2-6,11-14H,7-10H2,1H3,(H,21,25);2-3,8-11,14H,4-7H2,1H3,(H,20,23)
InChIKeyMJBORIQHONDABB-UHFFFAOYSA-N
MW1209.41 g/mol
LogP4.61
Rot. Bonds12

About 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[6-[methyl(oxan-4-yl)amino]-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one

4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[6-[methyl(oxan-4-yl)amino]-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one (PubChem CID 159581496) has the molecular formula C57H60N16O9S3 and a molecular weight of 1209.41 g/mol. Its IUPAC name is 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[6-[methyl(oxan-4-yl)amino]-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[6-[methyl(oxan-4-yl)amino]-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
PubChem CID159581496
Molecular FormulaC57H60N16O9S3
Molecular Weight1209.41 g/mol
Exact Mass1208.39
IUPAC Name4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[6-[methyl(oxan-4-yl)amino]-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCN(C(=O)N1CCC(c2cnn(C3=CC(=O)NS3=O)c2)CC1)c1ccccc1.CN(c1ccc(-c2cnn(C3=CC(=O)NS3=O)c2)cn1)C1CCOCC1.CN1CCOc2cc(-c3ccc(CCc4cnn(C5=CC(=O)NS5=O)c4)cn3)cnc21
InChIInChI=1S/C21H20N6O3S.C19H21N5O3S.C17H19N5O3S/c1-26-6-7-30-18-8-16(12-23-21(18)26)17-5-4-14(10-22-17)2-3-15-11-24-27(13-15)20-9-19(28)25-31(20)29;1-22(16-5-3-2-4-6-16)19(26)23-9-7-14(8-10-23)15-12-20-24(13-15)18-11-17(25)21-28(18)27;1-21(14-4-6-25-7-5-14)15-3-2-12(9-18-15)13-10-19-22(11-13)17-8-16(23)20-26(17)24/h4-5,8-13H,2-3,6-7H2,1H3,(H,25,28);2-6,11-14H,7-10H2,1H3,(H,21,25);2-3,8-11,14H,4-7H2,1H3,(H,20,23)
InChIKeyMJBORIQHONDABB-UHFFFAOYSA-N
XLogP4.61
TPSA279.13 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001209.41
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[6-[methyl(oxan-4-yl)amino]-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;methane
CID 158063741
methane;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-[1-(methylamino)ethenyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-5-phenylmethoxy-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 158846244
N-butyl-4-tert-butylpyridin-2-amine;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 159028960
5-[5-(4-Cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(cyclopropylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[5-(dimethylamino)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(5-morpholin-4-yl-3-pyridinyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-phenoxyphenyl)indazol-1-yl]-1,2-thiazol-3-one
CID 159046786
5-[5-(5H-cyclopenta[b]pyridin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(6-deuterio-2-pyridinyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(4,4-difluorocyclohexen-1-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(6-piperidin-1-yl-3-pyridinyl)indazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-(4-pyridin-3-ylindazol-1-yl)-1,2-thiazol-3-one;1-oxo-5-[5-(6-pyrrolidin-1-yl-3-pyridinyl)indazol-1-yl]-1,2-thiazol-3-one
CID 159119715
5-[5-(5H-cyclopenta[b]pyridin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(4,4-difluorocyclohexen-1-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(6-piperidin-1-yl-3-pyridinyl)indazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-(4-pyridin-3-ylindazol-1-yl)-1,2-thiazol-3-one;1-oxo-5-[5-(6-pyrrolidin-1-yl-3-pyridinyl)indazol-1-yl]-1,2-thiazol-3-one
CID 159224514
4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 161181447
5-(5-Methoxypyrazolo[3,4-c]pyridin-1-yl)-1-oxo-1,2-thiazol-3-one;5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazolo[3,4-c]pyridin-1-yl]-1-oxo-1,2-thiazol-3-one;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;1-oxo-5-[5-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[4,5-b]pyridin-1-yl]-1,2-thiazol-3-one;1-oxo-5-pyrazolo[5,4-b]pyridin-1-yl-1,2-thiazol-3-one;1-oxo-5-pyrazolo[5,4-c]quinolin-3-yl-1,2-thiazol-3-one;1-oxo-5-[5-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[4,5-b]pyridin-1-yl]-1,2-thiazol-3-one;2,2,2-trifluoroacetic acid
CID 161497405
1-Oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one
CID 140960279
5-[5-(8-Oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960304
5-[5-(4-Methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazolo[3,4-c]pyridin-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960328
5-[5-(4-Methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridin-3-ylindazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960452

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[6-[methyl(oxan-4-yl)amino]-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[6-[methyl(oxan-4-yl)amino]-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one (CID 159581496) is 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[6-[methyl(oxan-4-yl)amino]-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[6-[methyl(oxan-4-yl)amino]-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[6-[methyl(oxan-4-yl)amino]-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one is CN(C(=O)N1CCC(c2cnn(C3=CC(=O)NS3=O)c2)CC1)c1ccccc1.CN(c1ccc(-c2cnn(C3=CC(=O)NS3=O)c2)cn1)C1CCOCC1.CN1CCOc2cc(-c3ccc(CCc4cnn(C5=CC(=O)NS5=O)c4)cn3)cnc21.
What is the InChIKey of 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[6-[methyl(oxan-4-yl)amino]-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is MJBORIQHONDABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S.C19H21N5O3S.C17H19N5O3S/c1-26-6-7-30-18-8-16(12-23-21(18)26)17-5-4-14(10-22-17)2-3-15-11-24-27(13-15)20-9-19(28)25-31(20)29;1-22(16-5-3-2-4-6-16)19(26)23-9-7-14(8-10-23)15-12-20-24(13-15)18-11-17(25)21-28(18)27;1-21(14-4-6-25-7-5-14)15-3-2-12(9-18-15)13-10-19-22(11-13)17-8-16(23)20-26(17)24/h4-5,8-13H,2-3,6-7H2,1H3,(H,25,28);2-6,11-14H,7-10H2,1H3,(H,21,25);2-3,8-11,14H,4-7H2,1H3,(H,20,23).
What are the key properties of 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[6-[methyl(oxan-4-yl)amino]-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one?
4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[6-[methyl(oxan-4-yl)amino]-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 1209.41 g/mol, XLogP of 4.61, 12 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]-N-methyl-N-phenylpiperidine-1-carboxamide;5-[4-[2-[6-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridinyl]ethyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[6-[methyl(oxan-4-yl)amino]-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 159581496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).