5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-3-ylphenyl)methyl]-1H-pyrazole-4-carboxamide

C103H127ClN24O9 — CID 161123076

IUPAC5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-3-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1cc(CNc2n[nH]c(Cc3ccc(-c4cccnc4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(Cl)c3)c2C(N)=O)cc(C)c1O.Cc1cc(Cc2[nH]nc(NCc3cc(C)c(O)c(C)c3)c2C(N)=O)cnc1N1CCN(C(C)C)CC1.Cc1cc(Cc2[nH]nc(NCc3cc(C)c(O)c(C)c3)c2C(N)=O)cnc1N1CCN(C)CC1
InChIInChI=1S/C27H37N7O2.C26H32ClN5O3.C25H33N7O2.C25H25N5O2/c1-16(2)33-6-8-34(9-7-33)27-19(5)12-21(15-30-27)13-22-23(25(28)36)26(32-31-22)29-14-20-10-17(3)24(35)18(4)11-20;1-14-7-19(8-15(2)24(14)33)11-29-26-23(25(28)34)21(30-31-26)10-18-5-6-22(20(27)9-18)32-12-16(3)35-17(4)13-32;1-15-9-18(10-16(2)22(15)33)13-27-24-21(23(26)34)20(29-30-24)12-19-11-17(3)25(28-14-19)32-7-5-31(4)6-8-32;1-15-10-18(11-16(2)23(15)31)13-28-25-22(24(26)32)21(29-30-25)12-17-5-7-19(8-6-17)20-4-3-9-27-14-20/h10-12,15-16,35H,6-9,13-14H2,1-5H3,(H2,28,36)(H2,29,31,32);5-9,16-17,33H,10-13H2,1-4H3,(H2,28,34)(H2,29,30,31);9-11,14,33H,5-8,12-13H2,1-4H3,(H2,26,34)(H2,27,29,30);3-11,14,31H,12-13H2,1-2H3,(H2,26,32)(H2,28,29,30)/t;16-,17+;;
InChIKeyULEYDGMUJFDNRJ-SLEPORRNSA-N
MW1880.76 g/mol
LogP14.15
Rot. Bonds29

About 5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-3-ylphenyl)methyl]-1H-pyrazole-4-carboxamide

5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-3-ylphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 161123076) has the molecular formula C103H127ClN24O9 and a molecular weight of 1880.76 g/mol. Its IUPAC name is 5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-3-ylphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-3-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID161123076
Molecular FormulaC103H127ClN24O9
Molecular Weight1880.76 g/mol
Exact Mass1878.99
IUPAC Name5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-3-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1cc(CNc2n[nH]c(Cc3ccc(-c4cccnc4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(Cl)c3)c2C(N)=O)cc(C)c1O.Cc1cc(Cc2[nH]nc(NCc3cc(C)c(O)c(C)c3)c2C(N)=O)cnc1N1CCN(C(C)C)CC1.Cc1cc(Cc2[nH]nc(NCc3cc(C)c(O)c(C)c3)c2C(N)=O)cnc1N1CCN(C)CC1
InChIInChI=1S/C27H37N7O2.C26H32ClN5O3.C25H33N7O2.C25H25N5O2/c1-16(2)33-6-8-34(9-7-33)27-19(5)12-21(15-30-27)13-22-23(25(28)36)26(32-31-22)29-14-20-10-17(3)24(35)18(4)11-20;1-14-7-19(8-15(2)24(14)33)11-29-26-23(25(28)34)21(30-31-26)10-18-5-6-22(20(27)9-18)32-12-16(3)35-17(4)13-32;1-15-9-18(10-16(2)22(15)33)13-27-24-21(23(26)34)20(29-30-24)12-19-11-17(3)25(28-14-19)32-7-5-31(4)6-8-32;1-15-10-18(11-16(2)23(15)31)13-28-25-22(24(26)32)21(29-30-25)12-17-5-7-19(8-6-17)20-4-3-9-27-14-20/h10-12,15-16,35H,6-9,13-14H2,1-5H3,(H2,28,36)(H2,29,31,32);5-9,16-17,33H,10-13H2,1-4H3,(H2,28,34)(H2,29,30,31);9-11,14,33H,5-8,12-13H2,1-4H3,(H2,26,34)(H2,27,29,30);3-11,14,31H,12-13H2,1-2H3,(H2,26,32)(H2,28,29,30)/t;16-,17+;;
InChIKeyULEYDGMUJFDNRJ-SLEPORRNSA-N
XLogP14.15
TPSA480.22 Ų
H-Bond Donors16
H-Bond Acceptors25
Rotatable Bonds29
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001880.76
LogP ≤ 514.15
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1025

Analyze 5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-3-ylphenyl)methyl]-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

5-[(5-chloro-6-morpholin-4-yl-3-pyridinyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 157209820
5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 158548343
5-[(4-aminophenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-thiomorpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 158565686
CID 158698638
CID 158698638
5-[[4-(4-benzylpiperazin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(3-methyl-4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 158807714
5-[[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-imidazol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 158998287
3-[2-(4-chloro-3-fluorophenyl)ethyl]-5-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(2-chloro-6-fluorophenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-[3-fluoro-5-(hydroxymethyl)phenyl]ethyl]-5-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide
CID 159143051
CID 159658319
CID 159658319
5-[[3-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-pyridin-3-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 160034423
5-[[3-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[6-[(2R,6S)-2,6-dimethyloxan-4-yl]-3-pyridinyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-piperidin-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 160115570
5-[[6-[(2R,6S)-2,6-dimethyloxan-4-yl]-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(4-fluoropiperidin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 160219889
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 160917680

Frequently Asked Questions

What is the IUPAC name of 5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-3-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-3-ylphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 161123076) is 5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-3-ylphenyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-3-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-3-ylphenyl)methyl]-1H-pyrazole-4-carboxamide is Cc1cc(CNc2n[nH]c(Cc3ccc(-c4cccnc4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(Cl)c3)c2C(N)=O)cc(C)c1O.Cc1cc(Cc2[nH]nc(NCc3cc(C)c(O)c(C)c3)c2C(N)=O)cnc1N1CCN(C(C)C)CC1.Cc1cc(Cc2[nH]nc(NCc3cc(C)c(O)c(C)c3)c2C(N)=O)cnc1N1CCN(C)CC1.
What is the InChIKey of 5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-3-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is ULEYDGMUJFDNRJ-SLEPORRNSA-N. The full InChI is InChI=1S/C27H37N7O2.C26H32ClN5O3.C25H33N7O2.C25H25N5O2/c1-16(2)33-6-8-34(9-7-33)27-19(5)12-21(15-30-27)13-22-23(25(28)36)26(32-31-22)29-14-20-10-17(3)24(35)18(4)11-20;1-14-7-19(8-15(2)24(14)33)11-29-26-23(25(28)34)21(30-31-26)10-18-5-6-22(20(27)9-18)32-12-16(3)35-17(4)13-32;1-15-9-18(10-16(2)22(15)33)13-27-24-21(23(26)34)20(29-30-24)12-19-11-17(3)25(28-14-19)32-7-5-31(4)6-8-32;1-15-10-18(11-16(2)23(15)31)13-28-25-22(24(26)32)21(29-30-25)12-17-5-7-19(8-6-17)20-4-3-9-27-14-20/h10-12,15-16,35H,6-9,13-14H2,1-5H3,(H2,28,36)(H2,29,31,32);5-9,16-17,33H,10-13H2,1-4H3,(H2,28,34)(H2,29,30,31);9-11,14,33H,5-8,12-13H2,1-4H3,(H2,26,34)(H2,27,29,30);3-11,14,31H,12-13H2,1-2H3,(H2,26,32)(H2,28,29,30)/t;16-,17+;;.
What are the key properties of 5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-3-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-3-ylphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 1880.76 g/mol, XLogP of 14.15, 29 rotatable bonds, 16 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-3-ylphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 161123076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).