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

C158H182N42O12S6 — CID 167552294

IUPAC1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]urea;1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-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]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(3-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]-2-hydroxyacetamide
SMILESCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)s2)ccn1.CC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3cccc(C)c3)s2)ccn1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(N)c3)s2)cc1.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.Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(NC(=O)CO)c3)s2)c1
InChIInChI=1S/2C27H31N7O3S.2C27H31N7O2S.2C25H29N7OS/c1-17-5-8-19(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;1-17-6-5-7-19(12-17)34-23(14-21(33-34)27(2,3)4)31-25(37)32-26-29-15-20(38-26)9-8-18-10-11-28-22(13-18)30-24(36)16-35;1-17-6-9-20(10-7-17)34-24(15-22(33-34)27(3,4)5)31-25(36)32-26-29-16-21(37-26)11-8-19-12-13-28-23(14-19)30-18(2)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;1-16-5-8-18(9-6-16)32-22(14-20(31-32)25(2,3)4)29-23(33)30-24-28-15-19(34-24)10-7-17-11-12-27-21(26)13-17;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/h5-6,8-9,11-15,35H,7,10,16H2,1-4H3,(H,28,30,36)(H2,29,31,32,37);5-7,10-15,35H,8-9,16H2,1-4H3,(H,28,30,36)(H2,29,31,32,37);6-7,9-10,12-16H,8,11H2,1-5H3,(H,28,30,35)(H2,29,31,32,36);6-8,11-16H,9-10H2,1-5H3,(H,28,30,35)(H2,29,31,32,36);5-6,8-9,11-15H,7,10H2,1-4H3,(H2,26,27)(H2,28,29,30,33);5-7,10-15H,8-9H2,1-4H3,(H2,26,27)(H2,28,29,30,33)
InChIKeyCOHGECASHPAKJJ-UHFFFAOYSA-N
MW3053.88 g/mol
LogP31.50
Rot. Bonds42

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

1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]urea;1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-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]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(3-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]-2-hydroxyacetamide (PubChem CID 167552294) has the molecular formula C158H182N42O12S6 and a molecular weight of 3053.88 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;1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-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]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(3-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]-2-hydroxyacetamide.

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;1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-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]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(3-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]-2-hydroxyacetamide
PubChem CID167552294
Molecular FormulaC158H182N42O12S6
Molecular Weight3053.88 g/mol
Exact Mass3051.32
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;1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-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]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(3-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]-2-hydroxyacetamide
SMILESCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)s2)ccn1.CC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3cccc(C)c3)s2)ccn1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(N)c3)s2)cc1.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.Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(NC(=O)CO)c3)s2)c1
InChIInChI=1S/2C27H31N7O3S.2C27H31N7O2S.2C25H29N7OS/c1-17-5-8-19(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;1-17-6-5-7-19(12-17)34-23(14-21(33-34)27(2,3)4)31-25(37)32-26-29-15-20(38-26)9-8-18-10-11-28-22(13-18)30-24(36)16-35;1-17-6-9-20(10-7-17)34-24(15-22(33-34)27(3,4)5)31-25(36)32-26-29-16-21(37-26)11-8-19-12-13-28-23(14-19)30-18(2)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;1-16-5-8-18(9-6-16)32-22(14-20(31-32)25(2,3)4)29-23(33)30-24-28-15-19(34-24)10-7-17-11-12-27-21(26)13-17;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/h5-6,8-9,11-15,35H,7,10,16H2,1-4H3,(H,28,30,36)(H2,29,31,32,37);5-7,10-15,35H,8-9,16H2,1-4H3,(H,28,30,36)(H2,29,31,32,37);6-7,9-10,12-16H,8,11H2,1-5H3,(H,28,30,35)(H2,29,31,32,36);6-8,11-16H,9-10H2,1-5H3,(H,28,30,35)(H2,29,31,32,36);5-6,8-9,11-15H,7,10H2,1-4H3,(H2,26,27)(H2,28,29,30,33);5-7,10-15H,8-9H2,1-4H3,(H2,26,27)(H2,28,29,30,33)
InChIKeyCOHGECASHPAKJJ-UHFFFAOYSA-N
XLogP31.50
TPSA717.28 Ų
H-Bond Donors20
H-Bond Acceptors44
Rotatable Bonds42
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003053.88
LogP ≤ 531.50
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1044

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;1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-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]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(3-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]-2-hydroxyacetamide 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;1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-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]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(3-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]-2-hydroxyacetamide?
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;1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-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]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(3-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]-2-hydroxyacetamide (CID 167552294) 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;1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-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]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(3-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]-2-hydroxyacetamide.
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;1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-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]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(3-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]-2-hydroxyacetamide?
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;1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-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]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(3-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]-2-hydroxyacetamide is CC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)s2)ccn1.CC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3cccc(C)c3)s2)ccn1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(N)c3)s2)cc1.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.Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(NC(=O)CO)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;1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-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]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(3-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]-2-hydroxyacetamide?
The InChIKey is COHGECASHPAKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H31N7O3S.2C27H31N7O2S.2C25H29N7OS/c1-17-5-8-19(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;1-17-6-5-7-19(12-17)34-23(14-21(33-34)27(2,3)4)31-25(37)32-26-29-15-20(38-26)9-8-18-10-11-28-22(13-18)30-24(36)16-35;1-17-6-9-20(10-7-17)34-24(15-22(33-34)27(3,4)5)31-25(36)32-26-29-16-21(37-26)11-8-19-12-13-28-23(14-19)30-18(2)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;1-16-5-8-18(9-6-16)32-22(14-20(31-32)25(2,3)4)29-23(33)30-24-28-15-19(34-24)10-7-17-11-12-27-21(26)13-17;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/h5-6,8-9,11-15,35H,7,10,16H2,1-4H3,(H,28,30,36)(H2,29,31,32,37);5-7,10-15,35H,8-9,16H2,1-4H3,(H,28,30,36)(H2,29,31,32,37);6-7,9-10,12-16H,8,11H2,1-5H3,(H,28,30,35)(H2,29,31,32,36);6-8,11-16H,9-10H2,1-5H3,(H,28,30,35)(H2,29,31,32,36);5-6,8-9,11-15H,7,10H2,1-4H3,(H2,26,27)(H2,28,29,30,33);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;1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-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]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(3-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]-2-hydroxyacetamide?
1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]urea;1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-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]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(3-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]-2-hydroxyacetamide has a molecular weight of 3053.88 g/mol, XLogP of 31.50, 42 rotatable bonds, 20 hydrogen bond donors, and 44 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;1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-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]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(3-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]-2-hydroxyacetamide is sourced from PubChem (CID 167552294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).