1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-hydroxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide

C107H124N28O8S4 — CID 157235809

IUPAC1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-hydroxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide
SMILESCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3cccc(C)c3)s2)ccn1.CCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)s2)ccn1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(NC(=O)CO)c3)s2)cc1.Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(N)c3)s2)c1
InChIInChI=1S/C28H33N7O2S.C27H31N7O3S.C27H31N7O2S.C25H29N7OS/c1-6-25(36)31-23-15-19(13-14-29-23)9-12-21-17-30-27(38-21)33-26(37)32-24-16-22(28(3,4)5)34-35(24)20-10-7-18(2)8-11-20;1-17-5-8-19(9-6-17)34-23(14-21(33-34)27(2,3)4)31-25(37)32-26-29-15-20(38-26)10-7-18-11-12-28-22(13-18)30-24(36)16-35;1-17-7-6-8-20(13-17)34-24(15-22(33-34)27(3,4)5)31-25(36)32-26-29-16-21(37-26)10-9-19-11-12-28-23(14-19)30-18(2)35;1-16-6-5-7-18(12-16)32-22(14-20(31-32)25(2,3)4)29-23(33)30-24-28-15-19(34-24)9-8-17-10-11-27-21(26)13-17/h7-8,10-11,13-17H,6,9,12H2,1-5H3,(H,29,31,36)(H2,30,32,33,37);5-6,8-9,11-15,35H,7,10,16H2,1-4H3,(H,28,30,36)(H2,29,31,32,37);6-8,11-16H,9-10H2,1-5H3,(H,28,30,35)(H2,29,31,32,36);5-7,10-15H,8-9H2,1-4H3,(H2,26,27)(H2,28,29,30,33)
InChIKeyAUPUQQJRHBLWRK-UHFFFAOYSA-N
MW2058.62 g/mol
LogP21.86
Rot. Bonds29

About 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-hydroxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide

1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-hydroxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide (PubChem CID 157235809) has the molecular formula C107H124N28O8S4 and a molecular weight of 2058.62 g/mol. Its IUPAC name is 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-hydroxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-hydroxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide
PubChem CID157235809
Molecular FormulaC107H124N28O8S4
Molecular Weight2058.62 g/mol
Exact Mass2056.90
IUPAC Name1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-hydroxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide
SMILESCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3cccc(C)c3)s2)ccn1.CCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)s2)ccn1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(NC(=O)CO)c3)s2)cc1.Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(N)c3)s2)c1
InChIInChI=1S/C28H33N7O2S.C27H31N7O3S.C27H31N7O2S.C25H29N7OS/c1-6-25(36)31-23-15-19(13-14-29-23)9-12-21-17-30-27(38-21)33-26(37)32-24-16-22(28(3,4)5)34-35(24)20-10-7-18(2)8-11-20;1-17-5-8-19(9-6-17)34-23(14-21(33-34)27(2,3)4)31-25(37)32-26-29-15-20(38-26)10-7-18-11-12-28-22(13-18)30-24(36)16-35;1-17-7-6-8-20(13-17)34-24(15-22(33-34)27(3,4)5)31-25(36)32-26-29-16-21(37-26)10-9-19-11-12-28-23(14-19)30-18(2)35;1-16-6-5-7-18(12-16)32-22(14-20(31-32)25(2,3)4)29-23(33)30-24-28-15-19(34-24)9-8-17-10-11-27-21(26)13-17/h7-8,10-11,13-17H,6,9,12H2,1-5H3,(H,29,31,36)(H2,30,32,33,37);5-6,8-9,11-15,35H,7,10,16H2,1-4H3,(H,28,30,36)(H2,29,31,32,37);6-8,11-16H,9-10H2,1-5H3,(H,28,30,35)(H2,29,31,32,36);5-7,10-15H,8-9H2,1-4H3,(H2,26,27)(H2,28,29,30,33)
InChIKeyAUPUQQJRHBLWRK-UHFFFAOYSA-N
XLogP21.86
TPSA472.47 Ų
H-Bond Donors13
H-Bond Acceptors29
Rotatable Bonds29
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002058.62
LogP ≤ 521.86
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1029

Analyze 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-hydroxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-hydroxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide?
The IUPAC name of 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-hydroxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide (CID 157235809) is 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-hydroxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide.
What is the SMILES notation for 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-hydroxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide?
The canonical SMILES for 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-hydroxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide is CC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3cccc(C)c3)s2)ccn1.CCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)s2)ccn1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(NC(=O)CO)c3)s2)cc1.Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(N)c3)s2)c1.
What is the InChIKey of 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-hydroxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide?
The InChIKey is AUPUQQJRHBLWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O2S.C27H31N7O3S.C27H31N7O2S.C25H29N7OS/c1-6-25(36)31-23-15-19(13-14-29-23)9-12-21-17-30-27(38-21)33-26(37)32-24-16-22(28(3,4)5)34-35(24)20-10-7-18(2)8-11-20;1-17-5-8-19(9-6-17)34-23(14-21(33-34)27(2,3)4)31-25(37)32-26-29-15-20(38-26)10-7-18-11-12-28-22(13-18)30-24(36)16-35;1-17-7-6-8-20(13-17)34-24(15-22(33-34)27(3,4)5)31-25(36)32-26-29-16-21(37-26)10-9-19-11-12-28-23(14-19)30-18(2)35;1-16-6-5-7-18(12-16)32-22(14-20(31-32)25(2,3)4)29-23(33)30-24-28-15-19(34-24)9-8-17-10-11-27-21(26)13-17/h7-8,10-11,13-17H,6,9,12H2,1-5H3,(H,29,31,36)(H2,30,32,33,37);5-6,8-9,11-15,35H,7,10,16H2,1-4H3,(H,28,30,36)(H2,29,31,32,37);6-8,11-16H,9-10H2,1-5H3,(H,28,30,35)(H2,29,31,32,36);5-7,10-15H,8-9H2,1-4H3,(H2,26,27)(H2,28,29,30,33).
What are the key properties of 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-hydroxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide?
1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-hydroxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide has a molecular weight of 2058.62 g/mol, XLogP of 21.86, 29 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-hydroxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide is sourced from PubChem (CID 157235809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).