N-[6-(difluoromethoxy)-5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]-5-fluoropyrimidin-2-yl]amino]-6-methyl-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(trifluoromethoxy)-3-pyridinyl]prop-2-enamide

C117H125F9N36O11 — CID 163634315

IUPACN-[6-(difluoromethoxy)-5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]-5-fluoropyrimidin-2-yl]amino]-6-methyl-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(trifluoromethoxy)-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2ncc(F)c(-n3cc(CN(C)C)c(-c4ccccc4)n3)n2)c(C)nc1N1CCOCC1.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(CN(C)C)c(-c4ccccc4)n3)n2)c(OC(F)(F)F)nc1N1CCOCC1.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(CN(C)C)c(-c4ccccc4)n3)n2)c(OC(F)F)nc1N1CCOCC1.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(CN(C)C)c(-c4ccccc4)n3)n2)c(OCC(F)(F)F)nc1N1CCOCC1
InChIInChI=1S/C30H32F3N9O3.C29H30F3N9O3.C29H31F2N9O3.C29H32FN9O2/c1-4-25(43)35-22-16-23(28(45-19-30(31,32)33)38-27(22)41-12-14-44-15-13-41)36-29-34-11-10-24(37-29)42-18-21(17-40(2)3)26(39-42)20-8-6-5-7-9-20;1-4-24(42)34-21-16-22(27(44-29(30,31)32)37-26(21)40-12-14-43-15-13-40)35-28-33-11-10-23(36-28)41-18-20(17-39(2)3)25(38-41)19-8-6-5-7-9-19;1-4-24(41)33-21-16-22(27(43-28(30)31)36-26(21)39-12-14-42-15-13-39)34-29-32-11-10-23(35-29)40-18-20(17-38(2)3)25(37-40)19-8-6-5-7-9-19;1-5-25(40)33-24-15-23(19(2)32-28(24)38-11-13-41-14-12-38)34-29-31-16-22(30)27(35-29)39-18-21(17-37(3)4)26(36-39)20-9-7-6-8-10-20/h4-11,16,18H,1,12-15,17,19H2,2-3H3,(H,35,43)(H,34,36,37);4-11,16,18H,1,12-15,17H2,2-3H3,(H,34,42)(H,33,35,36);4-11,16,18,28H,1,12-15,17H2,2-3H3,(H,33,41)(H,32,34,35);5-10,15-16,18H,1,11-14,17H2,2-4H3,(H,33,40)(H,31,34,35)
InChIKeyHYUUQCBAEYUTEG-UHFFFAOYSA-N
MW2382.51 g/mol
LogP16.85
Rot. Bonds41

About N-[6-(difluoromethoxy)-5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]-5-fluoropyrimidin-2-yl]amino]-6-methyl-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(trifluoromethoxy)-3-pyridinyl]prop-2-enamide

N-[6-(difluoromethoxy)-5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]-5-fluoropyrimidin-2-yl]amino]-6-methyl-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(trifluoromethoxy)-3-pyridinyl]prop-2-enamide (PubChem CID 163634315) has the molecular formula C117H125F9N36O11 and a molecular weight of 2382.51 g/mol. Its IUPAC name is N-[6-(difluoromethoxy)-5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]-5-fluoropyrimidin-2-yl]amino]-6-methyl-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(trifluoromethoxy)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[6-(difluoromethoxy)-5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]-5-fluoropyrimidin-2-yl]amino]-6-methyl-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(trifluoromethoxy)-3-pyridinyl]prop-2-enamide
PubChem CID163634315
Molecular FormulaC117H125F9N36O11
Molecular Weight2382.51 g/mol
Exact Mass2381.02
IUPAC NameN-[6-(difluoromethoxy)-5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]-5-fluoropyrimidin-2-yl]amino]-6-methyl-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(trifluoromethoxy)-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2ncc(F)c(-n3cc(CN(C)C)c(-c4ccccc4)n3)n2)c(C)nc1N1CCOCC1.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(CN(C)C)c(-c4ccccc4)n3)n2)c(OC(F)(F)F)nc1N1CCOCC1.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(CN(C)C)c(-c4ccccc4)n3)n2)c(OC(F)F)nc1N1CCOCC1.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(CN(C)C)c(-c4ccccc4)n3)n2)c(OCC(F)(F)F)nc1N1CCOCC1
InChIInChI=1S/C30H32F3N9O3.C29H30F3N9O3.C29H31F2N9O3.C29H32FN9O2/c1-4-25(43)35-22-16-23(28(45-19-30(31,32)33)38-27(22)41-12-14-44-15-13-41)36-29-34-11-10-24(37-29)42-18-21(17-40(2)3)26(39-42)20-8-6-5-7-9-20;1-4-24(42)34-21-16-22(27(44-29(30,31)32)37-26(21)40-12-14-43-15-13-40)35-28-33-11-10-23(36-28)41-18-20(17-39(2)3)25(38-41)19-8-6-5-7-9-19;1-4-24(41)33-21-16-22(27(43-28(30)31)36-26(21)39-12-14-42-15-13-39)34-29-32-11-10-23(35-29)40-18-20(17-38(2)3)25(37-40)19-8-6-5-7-9-19;1-5-25(40)33-24-15-23(19(2)32-28(24)38-11-13-41-14-12-38)34-29-31-16-22(30)27(35-29)39-18-21(17-37(3)4)26(36-39)20-9-7-6-8-10-20/h4-11,16,18H,1,12-15,17,19H2,2-3H3,(H,35,43)(H,34,36,37);4-11,16,18H,1,12-15,17H2,2-3H3,(H,34,42)(H,33,35,36);4-11,16,18,28H,1,12-15,17H2,2-3H3,(H,33,41)(H,32,34,35);5-10,15-16,18H,1,11-14,17H2,2-4H3,(H,33,40)(H,31,34,35)
InChIKeyHYUUQCBAEYUTEG-UHFFFAOYSA-N
XLogP16.85
TPSA481.01 Ų
H-Bond Donors8
H-Bond Acceptors43
Rotatable Bonds41
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002382.51
LogP ≤ 516.85
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[6-(difluoromethoxy)-5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]-5-fluoropyrimidin-2-yl]amino]-6-methyl-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(trifluoromethoxy)-3-pyridinyl]prop-2-enamide with MolForge

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Related Compounds

US12312329, Example T-2
CID 153087608
1-[2-Fluoro-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)phenyl]urea;1-[2-fluoro-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea
CID 87164154
1-[2-fluoro-N-[[3-(4-methylimidazol-1-yl)phenyl]carbamoyl]-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]anilino]-1-[2-fluoro-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea
CID 87164155
2-[4-[4-[4-[(3-Tert-butyl-1-methylpyrazol-5-yl)carbamoyl-[(3-tert-butyl-1-methylpyrazol-5-yl)-[[2-fluoro-4-[[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-4-pyridinyl]oxy]phenyl]carbamoyl]amino]amino]-3-fluorophenoxy]-2-pyridinyl]pyrazol-1-yl]acetamide
CID 87164330
1-Ethyl-3-[4-[6-[1-[2-[4-[[4-(3-fluoro-4-methoxyphenyl)-6-[1-[2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetyl]piperidin-3-yl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetyl]pyrrolidin-2-yl]-5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]urea
CID 123201217
N-ethyl-2-[4-[[4-(4-ethylphenyl)-1-[[4-[[4-[4-[2-[4-[[4-(3-fluoro-4-propoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetyl]morpholin-3-yl]-6-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]methyl]-5-methylpyrimidin-1-ium-2-yl]amino]pyrazol-1-yl]acetamide
CID 123292907
N-[2-[3-[(6-methoxy-2-pyridinyl)carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]-4-pyridinyl]-1-[2-methyl-6-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-4-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123473923
N-(6-methoxypyridin-2-yl)-2-methyl-7-[[6-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyridin-2-yl]-morpholin-4-ylmethyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123944852
4-[4-[5-(4-Fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-[[4-[4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 124012055
6-(3-fluoropyrrolidin-1-yl)-N-(6-morpholin-4-yl-2-pyridinyl)-8-[[6-[[5-[2-(trifluoromethyl)phenyl]-1-[[6-[[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]oxy]pyrazolo[1,5-a]pyrimidin-1-ium-3-carbonyl]amino]-2-pyridinyl]oxymethyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 124017564
N-[6-(2,2-difluoroethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)indazol-1-yl]pyrimidin-2-yl]amino]pyridin-3-yl]prop-2-enamide
CID 137437253
7-(2,2-difluoroethoxy)-8-[6-(3,5-difluorophenyl)-3-[[[7-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 143835060

Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethoxy)-5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]-5-fluoropyrimidin-2-yl]amino]-6-methyl-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(trifluoromethoxy)-3-pyridinyl]prop-2-enamide?
The IUPAC name of N-[6-(difluoromethoxy)-5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]-5-fluoropyrimidin-2-yl]amino]-6-methyl-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(trifluoromethoxy)-3-pyridinyl]prop-2-enamide (CID 163634315) is N-[6-(difluoromethoxy)-5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]-5-fluoropyrimidin-2-yl]amino]-6-methyl-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(trifluoromethoxy)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[6-(difluoromethoxy)-5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]-5-fluoropyrimidin-2-yl]amino]-6-methyl-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(trifluoromethoxy)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[6-(difluoromethoxy)-5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]-5-fluoropyrimidin-2-yl]amino]-6-methyl-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(trifluoromethoxy)-3-pyridinyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2ncc(F)c(-n3cc(CN(C)C)c(-c4ccccc4)n3)n2)c(C)nc1N1CCOCC1.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(CN(C)C)c(-c4ccccc4)n3)n2)c(OC(F)(F)F)nc1N1CCOCC1.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(CN(C)C)c(-c4ccccc4)n3)n2)c(OC(F)F)nc1N1CCOCC1.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(CN(C)C)c(-c4ccccc4)n3)n2)c(OCC(F)(F)F)nc1N1CCOCC1.
What is the InChIKey of N-[6-(difluoromethoxy)-5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]-5-fluoropyrimidin-2-yl]amino]-6-methyl-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(trifluoromethoxy)-3-pyridinyl]prop-2-enamide?
The InChIKey is HYUUQCBAEYUTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N9O3.C29H30F3N9O3.C29H31F2N9O3.C29H32FN9O2/c1-4-25(43)35-22-16-23(28(45-19-30(31,32)33)38-27(22)41-12-14-44-15-13-41)36-29-34-11-10-24(37-29)42-18-21(17-40(2)3)26(39-42)20-8-6-5-7-9-20;1-4-24(42)34-21-16-22(27(44-29(30,31)32)37-26(21)40-12-14-43-15-13-40)35-28-33-11-10-23(36-28)41-18-20(17-39(2)3)25(38-41)19-8-6-5-7-9-19;1-4-24(41)33-21-16-22(27(43-28(30)31)36-26(21)39-12-14-42-15-13-39)34-29-32-11-10-23(35-29)40-18-20(17-38(2)3)25(37-40)19-8-6-5-7-9-19;1-5-25(40)33-24-15-23(19(2)32-28(24)38-11-13-41-14-12-38)34-29-31-16-22(30)27(35-29)39-18-21(17-37(3)4)26(36-39)20-9-7-6-8-10-20/h4-11,16,18H,1,12-15,17,19H2,2-3H3,(H,35,43)(H,34,36,37);4-11,16,18H,1,12-15,17H2,2-3H3,(H,34,42)(H,33,35,36);4-11,16,18,28H,1,12-15,17H2,2-3H3,(H,33,41)(H,32,34,35);5-10,15-16,18H,1,11-14,17H2,2-4H3,(H,33,40)(H,31,34,35).
What are the key properties of N-[6-(difluoromethoxy)-5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]-5-fluoropyrimidin-2-yl]amino]-6-methyl-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(trifluoromethoxy)-3-pyridinyl]prop-2-enamide?
N-[6-(difluoromethoxy)-5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]-5-fluoropyrimidin-2-yl]amino]-6-methyl-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(trifluoromethoxy)-3-pyridinyl]prop-2-enamide has a molecular weight of 2382.51 g/mol, XLogP of 16.85, 41 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethoxy)-5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]-5-fluoropyrimidin-2-yl]amino]-6-methyl-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(trifluoromethoxy)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 163634315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).