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-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;ethyl N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide

C153H182N42O13S6 — CID 167602902

IUPACN-[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-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;ethyl N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)s2)ccn1.CC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C4(C)COC4)nn3-c3ccc(C)cc3)s2)ccn1.CC(C)n1nc(C(C)(C)C)cc1NC(=O)Nc1ncc(CCc2ccncc2)s1.CCNC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)s2)ccn1.CCOC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)[nH]n3)s2)ccn1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(NC(=O)C4CC4)c3)s2)cc1
InChIInChI=1S/C29H33N7O2S.C28H34N8O2S.C27H29N7O3S.C27H31N7O2S.C21H27N7O3S.C21H28N6OS/c1-18-5-10-21(11-6-18)36-25(16-23(35-36)29(2,3)4)33-27(38)34-28-31-17-22(39-28)12-7-19-13-14-30-24(15-19)32-26(37)20-8-9-20;1-6-29-25(37)32-23-15-19(13-14-30-23)9-12-21-17-31-27(39-21)34-26(38)33-24-16-22(28(3,4)5)35-36(24)20-10-7-18(2)8-11-20;1-17-4-7-20(8-5-17)34-24(13-22(33-34)27(3)15-37-16-27)31-25(36)32-26-29-14-21(38-26)9-6-19-10-11-28-23(12-19)30-18(2)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;1-5-31-20(30)25-16-10-13(8-9-22-16)6-7-14-12-23-19(32-14)26-18(29)24-17-11-15(27-28-17)21(2,3)4;1-14(2)27-18(12-17(26-27)21(3,4)5)24-19(28)25-20-23-13-16(29-20)7-6-15-8-10-22-11-9-15/h5-6,10-11,13-17,20H,7-9,12H2,1-4H3,(H,30,32,37)(H2,31,33,34,38);7-8,10-11,13-17H,6,9,12H2,1-5H3,(H2,29,30,32,37)(H2,31,33,34,38);4-5,7-8,10-14H,6,9,15-16H2,1-3H3,(H,28,30,35)(H2,29,31,32,36);6-7,9-10,12-16H,8,11H2,1-5H3,(H,28,30,35)(H2,29,31,32,36);8-12H,5-7H2,1-4H3,(H,22,25,30)(H3,23,24,26,27,28,29);8-14H,6-7H2,1-5H3,(H2,23,24,25,28)
InChIKeyJZCMTBVKQLEVEY-UHFFFAOYSA-N
MW3009.82 g/mol
LogP32.03
Rot. Bonds44

About 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-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;ethyl N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-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-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;ethyl N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide (PubChem CID 167602902) has the molecular formula C153H182N42O13S6 and a molecular weight of 3009.82 g/mol. Its IUPAC name is 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-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;ethyl N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[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-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;ethyl N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide
PubChem CID167602902
Molecular FormulaC153H182N42O13S6
Molecular Weight3009.82 g/mol
Exact Mass3007.32
IUPAC NameN-[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-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;ethyl N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)s2)ccn1.CC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C4(C)COC4)nn3-c3ccc(C)cc3)s2)ccn1.CC(C)n1nc(C(C)(C)C)cc1NC(=O)Nc1ncc(CCc2ccncc2)s1.CCNC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)s2)ccn1.CCOC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)[nH]n3)s2)ccn1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(NC(=O)C4CC4)c3)s2)cc1
InChIInChI=1S/C29H33N7O2S.C28H34N8O2S.C27H29N7O3S.C27H31N7O2S.C21H27N7O3S.C21H28N6OS/c1-18-5-10-21(11-6-18)36-25(16-23(35-36)29(2,3)4)33-27(38)34-28-31-17-22(39-28)12-7-19-13-14-30-24(15-19)32-26(37)20-8-9-20;1-6-29-25(37)32-23-15-19(13-14-30-23)9-12-21-17-31-27(39-21)34-26(38)33-24-16-22(28(3,4)5)35-36(24)20-10-7-18(2)8-11-20;1-17-4-7-20(8-5-17)34-24(13-22(33-34)27(3)15-37-16-27)31-25(36)32-26-29-14-21(38-26)9-6-19-10-11-28-23(12-19)30-18(2)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;1-5-31-20(30)25-16-10-13(8-9-22-16)6-7-14-12-23-19(32-14)26-18(29)24-17-11-15(27-28-17)21(2,3)4;1-14(2)27-18(12-17(26-27)21(3,4)5)24-19(28)25-20-23-13-16(29-20)7-6-15-8-10-22-11-9-15/h5-6,10-11,13-17,20H,7-9,12H2,1-4H3,(H,30,32,37)(H2,31,33,34,38);7-8,10-11,13-17H,6,9,12H2,1-5H3,(H2,29,30,32,37)(H2,31,33,34,38);4-5,7-8,10-14H,6,9,15-16H2,1-3H3,(H,28,30,35)(H2,29,31,32,36);6-7,9-10,12-16H,8,11H2,1-5H3,(H,28,30,35)(H2,29,31,32,36);8-12H,5-7H2,1-4H3,(H,22,25,30)(H3,23,24,26,27,28,29);8-14H,6-7H2,1-5H3,(H2,23,24,25,28)
InChIKeyJZCMTBVKQLEVEY-UHFFFAOYSA-N
XLogP32.03
TPSA695.23 Ų
H-Bond Donors19
H-Bond Acceptors42
Rotatable Bonds44
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003009.82
LogP ≤ 532.03
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1042

Analyze 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-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;ethyl N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;ethyl N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide?
The IUPAC name of 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-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;ethyl N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide (CID 167602902) is 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-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;ethyl N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide.
What is the SMILES notation for 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-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;ethyl N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide?
The canonical SMILES for 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-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;ethyl N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide 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(C4(C)COC4)nn3-c3ccc(C)cc3)s2)ccn1.CC(C)n1nc(C(C)(C)C)cc1NC(=O)Nc1ncc(CCc2ccncc2)s1.CCNC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)s2)ccn1.CCOC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)[nH]n3)s2)ccn1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(NC(=O)C4CC4)c3)s2)cc1.
What is the InChIKey of 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-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;ethyl N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide?
The InChIKey is JZCMTBVKQLEVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O2S.C28H34N8O2S.C27H29N7O3S.C27H31N7O2S.C21H27N7O3S.C21H28N6OS/c1-18-5-10-21(11-6-18)36-25(16-23(35-36)29(2,3)4)33-27(38)34-28-31-17-22(39-28)12-7-19-13-14-30-24(15-19)32-26(37)20-8-9-20;1-6-29-25(37)32-23-15-19(13-14-30-23)9-12-21-17-31-27(39-21)34-26(38)33-24-16-22(28(3,4)5)35-36(24)20-10-7-18(2)8-11-20;1-17-4-7-20(8-5-17)34-24(13-22(33-34)27(3)15-37-16-27)31-25(36)32-26-29-14-21(38-26)9-6-19-10-11-28-23(12-19)30-18(2)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;1-5-31-20(30)25-16-10-13(8-9-22-16)6-7-14-12-23-19(32-14)26-18(29)24-17-11-15(27-28-17)21(2,3)4;1-14(2)27-18(12-17(26-27)21(3,4)5)24-19(28)25-20-23-13-16(29-20)7-6-15-8-10-22-11-9-15/h5-6,10-11,13-17,20H,7-9,12H2,1-4H3,(H,30,32,37)(H2,31,33,34,38);7-8,10-11,13-17H,6,9,12H2,1-5H3,(H2,29,30,32,37)(H2,31,33,34,38);4-5,7-8,10-14H,6,9,15-16H2,1-3H3,(H,28,30,35)(H2,29,31,32,36);6-7,9-10,12-16H,8,11H2,1-5H3,(H,28,30,35)(H2,29,31,32,36);8-12H,5-7H2,1-4H3,(H,22,25,30)(H3,23,24,26,27,28,29);8-14H,6-7H2,1-5H3,(H2,23,24,25,28).
What are the key properties of 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-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;ethyl N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-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-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;ethyl N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide has a molecular weight of 3009.82 g/mol, XLogP of 32.03, 44 rotatable bonds, 19 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;ethyl N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 167602902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).