2-[1-[[6-(4-acetylpiperazin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[1-[[6-[(3-amino-3-oxopropyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;tert-butyl N-[[(3R)-1-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]carbamate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-hydroxypyrrolidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide

C91H89Cl4F12N31O13S4 — CID 159268312

IUPAC2-[1-[[6-(4-acetylpiperazin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[1-[[6-[(3-amino-3-oxopropyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;tert-butyl N-[[(3R)-1-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]carbamate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-hydroxypyrrolidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)N1CCN(c2cc(C(=O)NC(C)c3ncc(C(=O)Nc4cc(C(F)(F)F)c(Cl)cn4)s3)ncn2)CC1.CC(NC(=O)c1cc(N2CCC(O)C2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(NCCC(N)=O)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/C27H30ClF3N8O4S.C23H22ClF3N8O3S.C21H19ClF3N7O3S.C20H18ClF3N8O3S/c1-14(24-33-11-19(44-24)23(41)38-20-7-16(27(29,30)31)17(28)10-32-20)37-22(40)18-8-21(36-13-35-18)39-6-5-15(12-39)9-34-25(42)43-26(2,3)4;1-12(32-20(37)16-8-19(31-11-30-16)35-5-3-34(4-6-35)13(2)36)22-29-10-17(39-22)21(38)33-18-7-14(23(25,26)27)15(24)9-28-18;1-10(30-18(34)14-5-17(29-9-28-14)32-3-2-11(33)8-32)20-27-7-15(36-20)19(35)31-16-4-12(21(23,24)25)13(22)6-26-16;1-9(31-17(34)12-5-15(30-8-29-12)26-3-2-14(25)33)19-28-7-13(36-19)18(35)32-16-4-10(20(22,23)24)11(21)6-27-16/h7-8,10-11,13-15H,5-6,9,12H2,1-4H3,(H,34,42)(H,37,40)(H,32,38,41);7-12H,3-6H2,1-2H3,(H,32,37)(H,28,33,38);4-7,9-11,33H,2-3,8H2,1H3,(H,30,34)(H,26,31,35);4-9H,2-3H2,1H3,(H2,25,33)(H,31,34)(H,26,29,30)(H,27,32,35)/t14?,15-;;;/m1.../s1
InChIKeyKXJRCUFPRRELMU-YCAOLFJZSA-N
MW2322.97 g/mol
LogP14.85
Rot. Bonds29

About 2-[1-[[6-(4-acetylpiperazin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[1-[[6-[(3-amino-3-oxopropyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;tert-butyl N-[[(3R)-1-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]carbamate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-hydroxypyrrolidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide

2-[1-[[6-(4-acetylpiperazin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[1-[[6-[(3-amino-3-oxopropyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;tert-butyl N-[[(3R)-1-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]carbamate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-hydroxypyrrolidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 159268312) has the molecular formula C91H89Cl4F12N31O13S4 and a molecular weight of 2322.97 g/mol. Its IUPAC name is 2-[1-[[6-(4-acetylpiperazin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[1-[[6-[(3-amino-3-oxopropyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;tert-butyl N-[[(3R)-1-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]carbamate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-hydroxypyrrolidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-[[6-(4-acetylpiperazin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[1-[[6-[(3-amino-3-oxopropyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;tert-butyl N-[[(3R)-1-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]carbamate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-hydroxypyrrolidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID159268312
Molecular FormulaC91H89Cl4F12N31O13S4
Molecular Weight2322.97 g/mol
Exact Mass2319.47
IUPAC Name2-[1-[[6-(4-acetylpiperazin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[1-[[6-[(3-amino-3-oxopropyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;tert-butyl N-[[(3R)-1-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]carbamate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-hydroxypyrrolidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)N1CCN(c2cc(C(=O)NC(C)c3ncc(C(=O)Nc4cc(C(F)(F)F)c(Cl)cn4)s3)ncn2)CC1.CC(NC(=O)c1cc(N2CCC(O)C2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(NCCC(N)=O)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/C27H30ClF3N8O4S.C23H22ClF3N8O3S.C21H19ClF3N7O3S.C20H18ClF3N8O3S/c1-14(24-33-11-19(44-24)23(41)38-20-7-16(27(29,30)31)17(28)10-32-20)37-22(40)18-8-21(36-13-35-18)39-6-5-15(12-39)9-34-25(42)43-26(2,3)4;1-12(32-20(37)16-8-19(31-11-30-16)35-5-3-34(4-6-35)13(2)36)22-29-10-17(39-22)21(38)33-18-7-14(23(25,26)27)15(24)9-28-18;1-10(30-18(34)14-5-17(29-9-28-14)32-3-2-11(33)8-32)20-27-7-15(36-20)19(35)31-16-4-12(21(23,24)25)13(22)6-26-16;1-9(31-17(34)12-5-15(30-8-29-12)26-3-2-14(25)33)19-28-7-13(36-19)18(35)32-16-4-10(20(22,23)24)11(21)6-27-16/h7-8,10-11,13-15H,5-6,9,12H2,1-4H3,(H,34,42)(H,37,40)(H,32,38,41);7-12H,3-6H2,1-2H3,(H,32,37)(H,28,33,38);4-7,9-11,33H,2-3,8H2,1H3,(H,30,34)(H,26,31,35);4-9H,2-3H2,1H3,(H2,25,33)(H,31,34)(H,26,29,30)(H,27,32,35)/t14?,15-;;;/m1.../s1
InChIKeyKXJRCUFPRRELMU-YCAOLFJZSA-N
XLogP14.85
TPSA582.75 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds29
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002322.97
LogP ≤ 514.85
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Analyze 2-[1-[[6-(4-acetylpiperazin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[1-[[6-[(3-amino-3-oxopropyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;tert-butyl N-[[(3R)-1-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]carbamate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-hydroxypyrrolidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

Tert-butyl 4-[[[6-[1-[5-[[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate
CID 57569488
N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[(1R)-1-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 57569496
tert-butyl N-[[(3R)-1-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]carbamate
CID 57569602
tert-butyl N-[[1-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]piperidin-4-yl]methyl]carbamate
CID 57569824
N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[(1R)-1-[[6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 57569866
N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[1-[[6-(3-hydroxypyrrolidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 57569932
tert-butyl N-[[1-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]carbamate
CID 57569981
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[[6-(3-hydroxypyrrolidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 68952275
tert-butyl N-[[(3S)-1-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]carbamate
CID 89433969
tert-butyl N-[[(3S)-1-[6-[1-[5-[[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-hydroxymethyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]carbamate
CID 126513571
N-[5-chloro-4-(1,1-difluoroethyl)pyridin-2-yl]-2-[1-[[6-(3-hydroxypyrrolidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 139564813
2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-(4-chloro-3-methylphenyl)-2-[1-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylideneamino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide
CID 157080882

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[6-(4-acetylpiperazin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[1-[[6-[(3-amino-3-oxopropyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;tert-butyl N-[[(3R)-1-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]carbamate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-hydroxypyrrolidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[1-[[6-(4-acetylpiperazin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[1-[[6-[(3-amino-3-oxopropyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;tert-butyl N-[[(3R)-1-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]carbamate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-hydroxypyrrolidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide (CID 159268312) is 2-[1-[[6-(4-acetylpiperazin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[1-[[6-[(3-amino-3-oxopropyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;tert-butyl N-[[(3R)-1-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]carbamate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-hydroxypyrrolidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[1-[[6-(4-acetylpiperazin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[1-[[6-[(3-amino-3-oxopropyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;tert-butyl N-[[(3R)-1-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]carbamate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-hydroxypyrrolidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[1-[[6-(4-acetylpiperazin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[1-[[6-[(3-amino-3-oxopropyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;tert-butyl N-[[(3R)-1-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]carbamate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-hydroxypyrrolidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide is CC(=O)N1CCN(c2cc(C(=O)NC(C)c3ncc(C(=O)Nc4cc(C(F)(F)F)c(Cl)cn4)s3)ncn2)CC1.CC(NC(=O)c1cc(N2CCC(O)C2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(NCCC(N)=O)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.
What is the InChIKey of 2-[1-[[6-(4-acetylpiperazin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[1-[[6-[(3-amino-3-oxopropyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;tert-butyl N-[[(3R)-1-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]carbamate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-hydroxypyrrolidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is KXJRCUFPRRELMU-YCAOLFJZSA-N. The full InChI is InChI=1S/C27H30ClF3N8O4S.C23H22ClF3N8O3S.C21H19ClF3N7O3S.C20H18ClF3N8O3S/c1-14(24-33-11-19(44-24)23(41)38-20-7-16(27(29,30)31)17(28)10-32-20)37-22(40)18-8-21(36-13-35-18)39-6-5-15(12-39)9-34-25(42)43-26(2,3)4;1-12(32-20(37)16-8-19(31-11-30-16)35-5-3-34(4-6-35)13(2)36)22-29-10-17(39-22)21(38)33-18-7-14(23(25,26)27)15(24)9-28-18;1-10(30-18(34)14-5-17(29-9-28-14)32-3-2-11(33)8-32)20-27-7-15(36-20)19(35)31-16-4-12(21(23,24)25)13(22)6-26-16;1-9(31-17(34)12-5-15(30-8-29-12)26-3-2-14(25)33)19-28-7-13(36-19)18(35)32-16-4-10(20(22,23)24)11(21)6-27-16/h7-8,10-11,13-15H,5-6,9,12H2,1-4H3,(H,34,42)(H,37,40)(H,32,38,41);7-12H,3-6H2,1-2H3,(H,32,37)(H,28,33,38);4-7,9-11,33H,2-3,8H2,1H3,(H,30,34)(H,26,31,35);4-9H,2-3H2,1H3,(H2,25,33)(H,31,34)(H,26,29,30)(H,27,32,35)/t14?,15-;;;/m1.../s1.
What are the key properties of 2-[1-[[6-(4-acetylpiperazin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[1-[[6-[(3-amino-3-oxopropyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;tert-butyl N-[[(3R)-1-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]carbamate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-hydroxypyrrolidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
2-[1-[[6-(4-acetylpiperazin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[1-[[6-[(3-amino-3-oxopropyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;tert-butyl N-[[(3R)-1-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]carbamate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-hydroxypyrrolidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 2322.97 g/mol, XLogP of 14.85, 29 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[6-(4-acetylpiperazin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[1-[[6-[(3-amino-3-oxopropyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;tert-butyl N-[[(3R)-1-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]carbamate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-hydroxypyrrolidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 159268312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).