[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2-amino-3-methylpentanoate;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2,3-dimethylpentanoate;(2S,3S)-2,3-dimethylpentanoic acid;sulfane;dihydrochloride

C110H127Cl2F12N19O7S2 — CID 159590014

IUPAC[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2-amino-3-methylpentanoate;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2,3-dimethylpentanoate;(2S,3S)-2,3-dimethylpentanoic acid;sulfane;dihydrochloride
SMILESCC[C@H](C)[C@H](C)C(=O)O.CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(CO)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(COC(=O)[C@@H](C)[C@@H](C)CC)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(COC(=O)[C@@H](N)[C@@H](C)CC)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cn1)CC2.Cl.Cl.S.S
InChIInChI=1S/C37H40F4N6O2.C36H39F4N7O2.C30H28F4N6O.C7H14O2.2ClH.2H2S/c1-6-21(4)22(5)35(48)49-20-25-16-29(38)31(27-12-14-42-32(25)27)34-28-19-46(36-43-17-26(18-44-36)37(39,40)41)15-13-30(28)45-47(34)33-23(7-2)10-9-11-24(33)8-3;1-5-20(4)30(41)34(48)49-19-23-15-27(37)29(25-11-13-42-31(23)25)33-26-18-46(35-43-16-24(17-44-35)36(38,39)40)14-12-28(26)45-47(33)32-21(6-2)9-8-10-22(32)7-3;1-3-17-6-5-7-18(4-2)27(17)40-28(25-21-8-10-35-26(21)19(16-41)12-23(25)31)22-15-39(11-9-24(22)38-40)29-36-13-20(14-37-29)30(32,33)34;1-4-5(2)6(3)7(8)9;;;;/h9-12,14,16-18,21-22,42H,6-8,13,15,19-20H2,1-5H3;8-11,13,15-17,20,30,42H,5-7,12,14,18-19,41H2,1-4H3;5-8,10,12-14,35,41H,3-4,9,11,15-16H2,1-2H3;5-6H,4H2,1-3H3,(H,8,9);2*1H;2*1H2/t21-,22-;20-,30-;;5-,6-;;;;/m00.0..../s1
InChIKeyOTSFISJKEWZXOF-KWYDQECTSA-N
MW2190.37 g/mol
LogP24.42
Rot. Bonds29

About [4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2-amino-3-methylpentanoate;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2,3-dimethylpentanoate;(2S,3S)-2,3-dimethylpentanoic acid;sulfane;dihydrochloride

[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2-amino-3-methylpentanoate;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2,3-dimethylpentanoate;(2S,3S)-2,3-dimethylpentanoic acid;sulfane;dihydrochloride (PubChem CID 159590014) has the molecular formula C110H127Cl2F12N19O7S2 and a molecular weight of 2190.37 g/mol. Its IUPAC name is [4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2-amino-3-methylpentanoate;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2,3-dimethylpentanoate;(2S,3S)-2,3-dimethylpentanoic acid;sulfane;dihydrochloride.

Molecular Properties

Compound Name[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2-amino-3-methylpentanoate;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2,3-dimethylpentanoate;(2S,3S)-2,3-dimethylpentanoic acid;sulfane;dihydrochloride
PubChem CID159590014
Molecular FormulaC110H127Cl2F12N19O7S2
Molecular Weight2190.37 g/mol
Exact Mass2187.88
IUPAC Name[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2-amino-3-methylpentanoate;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2,3-dimethylpentanoate;(2S,3S)-2,3-dimethylpentanoic acid;sulfane;dihydrochloride
SMILESCC[C@H](C)[C@H](C)C(=O)O.CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(CO)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(COC(=O)[C@@H](C)[C@@H](C)CC)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(COC(=O)[C@@H](N)[C@@H](C)CC)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cn1)CC2.Cl.Cl.S.S
InChIInChI=1S/C37H40F4N6O2.C36H39F4N7O2.C30H28F4N6O.C7H14O2.2ClH.2H2S/c1-6-21(4)22(5)35(48)49-20-25-16-29(38)31(27-12-14-42-32(25)27)34-28-19-46(36-43-17-26(18-44-36)37(39,40)41)15-13-30(28)45-47(34)33-23(7-2)10-9-11-24(33)8-3;1-5-20(4)30(41)34(48)49-19-23-15-27(37)29(25-11-13-42-31(23)25)33-26-18-46(35-43-16-24(17-44-35)36(38,39)40)14-12-28(26)45-47(33)32-21(6-2)9-8-10-22(32)7-3;1-3-17-6-5-7-18(4-2)27(17)40-28(25-21-8-10-35-26(21)19(16-41)12-23(25)31)22-15-39(11-9-24(22)38-40)29-36-13-20(14-37-29)30(32,33)34;1-4-5(2)6(3)7(8)9;;;;/h9-12,14,16-18,21-22,42H,6-8,13,15,19-20H2,1-5H3;8-11,13,15-17,20,30,42H,5-7,12,14,18-19,41H2,1-4H3;5-8,10,12-14,35,41H,3-4,9,11,15-16H2,1-2H3;5-6H,4H2,1-3H3,(H,8,9);2*1H;2*1H2/t21-,22-;20-,30-;;5-,6-;;;;/m00.0..../s1
InChIKeyOTSFISJKEWZXOF-KWYDQECTSA-N
XLogP24.42
TPSA324.04 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds29
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002190.37
LogP ≤ 524.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze [4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2-amino-3-methylpentanoate;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2,3-dimethylpentanoate;(2S,3S)-2,3-dimethylpentanoic acid;sulfane;dihydrochloride with MolForge

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Related Compounds

[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate;hydrochloride
CID 139533061
[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl 2-(2-aminopropanoylamino)propanoate;hydrochloride
CID 139533064
[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S)-2-aminopropanoate;hydrochloride
CID 139533074
[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S)-2-aminopropanoate
CID 139533075
[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S)-2-amino-3-methylpentanoate;hydrochloride
CID 139533077
[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl 2-amino-3-methylpentanoate;hydrochloride
CID 139533079
(2S)-2-amino-5-[[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methoxy]-5-oxopentanoic acid;hydrochloride
CID 139533084
(2S)-2-amino-5-[[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methoxy]-5-oxopentanoic acid
CID 139533085
2-amino-5-[[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methoxy]-5-oxopentanoic acid;hydrochloride
CID 139533087
2-amino-5-[[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methoxy]-5-oxopentanoic acid
CID 139533088
(2S)-2-acetamido-5-[[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methoxy]-5-oxopentanoic acid
CID 139533146
2-acetamido-5-[[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methoxy]-5-oxopentanoic acid
CID 139533147

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2-amino-3-methylpentanoate;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2,3-dimethylpentanoate;(2S,3S)-2,3-dimethylpentanoic acid;sulfane;dihydrochloride?
The IUPAC name of [4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2-amino-3-methylpentanoate;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2,3-dimethylpentanoate;(2S,3S)-2,3-dimethylpentanoic acid;sulfane;dihydrochloride (CID 159590014) is [4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2-amino-3-methylpentanoate;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2,3-dimethylpentanoate;(2S,3S)-2,3-dimethylpentanoic acid;sulfane;dihydrochloride.
What is the SMILES notation for [4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2-amino-3-methylpentanoate;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2,3-dimethylpentanoate;(2S,3S)-2,3-dimethylpentanoic acid;sulfane;dihydrochloride?
The canonical SMILES for [4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2-amino-3-methylpentanoate;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2,3-dimethylpentanoate;(2S,3S)-2,3-dimethylpentanoic acid;sulfane;dihydrochloride is CC[C@H](C)[C@H](C)C(=O)O.CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(CO)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(COC(=O)[C@@H](C)[C@@H](C)CC)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(COC(=O)[C@@H](N)[C@@H](C)CC)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cn1)CC2.Cl.Cl.S.S.
What is the InChIKey of [4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2-amino-3-methylpentanoate;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2,3-dimethylpentanoate;(2S,3S)-2,3-dimethylpentanoic acid;sulfane;dihydrochloride?
The InChIKey is OTSFISJKEWZXOF-KWYDQECTSA-N. The full InChI is InChI=1S/C37H40F4N6O2.C36H39F4N7O2.C30H28F4N6O.C7H14O2.2ClH.2H2S/c1-6-21(4)22(5)35(48)49-20-25-16-29(38)31(27-12-14-42-32(25)27)34-28-19-46(36-43-17-26(18-44-36)37(39,40)41)15-13-30(28)45-47(34)33-23(7-2)10-9-11-24(33)8-3;1-5-20(4)30(41)34(48)49-19-23-15-27(37)29(25-11-13-42-31(23)25)33-26-18-46(35-43-16-24(17-44-35)36(38,39)40)14-12-28(26)45-47(33)32-21(6-2)9-8-10-22(32)7-3;1-3-17-6-5-7-18(4-2)27(17)40-28(25-21-8-10-35-26(21)19(16-41)12-23(25)31)22-15-39(11-9-24(22)38-40)29-36-13-20(14-37-29)30(32,33)34;1-4-5(2)6(3)7(8)9;;;;/h9-12,14,16-18,21-22,42H,6-8,13,15,19-20H2,1-5H3;8-11,13,15-17,20,30,42H,5-7,12,14,18-19,41H2,1-4H3;5-8,10,12-14,35,41H,3-4,9,11,15-16H2,1-2H3;5-6H,4H2,1-3H3,(H,8,9);2*1H;2*1H2/t21-,22-;20-,30-;;5-,6-;;;;/m00.0..../s1.
What are the key properties of [4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2-amino-3-methylpentanoate;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2,3-dimethylpentanoate;(2S,3S)-2,3-dimethylpentanoic acid;sulfane;dihydrochloride?
[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2-amino-3-methylpentanoate;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2,3-dimethylpentanoate;(2S,3S)-2,3-dimethylpentanoic acid;sulfane;dihydrochloride has a molecular weight of 2190.37 g/mol, XLogP of 24.42, 29 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2-amino-3-methylpentanoate;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl (2S,3S)-2,3-dimethylpentanoate;(2S,3S)-2,3-dimethylpentanoic acid;sulfane;dihydrochloride is sourced from PubChem (CID 159590014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).