(2R)-1-[3-[4-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide

C33H35F4N5O4 — CID 24782661

IUPAC(2R)-1-[3-[4-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide
SMILESCc1cc(NCC(O)(CC(C)(C)c2cc(F)ccc2O)C(F)(F)F)c2cnn(-c3cccc(C(=O)N4CCC[C@@H]4C(N)=O)c3)c2c1
InChIInChI=1S/C33H35F4N5O4/c1-19-12-25(39-18-32(46,33(35,36)37)17-31(2,3)24-15-21(34)9-10-28(24)43)23-16-40-42(27(23)13-19)22-7-4-6-20(14-22)30(45)41-11-5-8-26(41)29(38)44/h4,6-7,9-10,12-16,26,39,43,46H,5,8,11,17-18H2,1-3H3,(H2,38,44)/t26-,32?/m1/s1
InChIKeyOMYFHNLLWJSHBG-PSPFREQMSA-N
MW641.67 g/mol
LogP5.34
Rot. Bonds9

About (2R)-1-[3-[4-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide

(2R)-1-[3-[4-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide (PubChem CID 24782661) has the molecular formula C33H35F4N5O4 and a molecular weight of 641.67 g/mol. Its IUPAC name is (2R)-1-[3-[4-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[3-[4-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide
PubChem CID24782661
Molecular FormulaC33H35F4N5O4
Molecular Weight641.67 g/mol
Exact Mass641.26
IUPAC Name(2R)-1-[3-[4-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide
SMILESCc1cc(NCC(O)(CC(C)(C)c2cc(F)ccc2O)C(F)(F)F)c2cnn(-c3cccc(C(=O)N4CCC[C@@H]4C(N)=O)c3)c2c1
InChIInChI=1S/C33H35F4N5O4/c1-19-12-25(39-18-32(46,33(35,36)37)17-31(2,3)24-15-21(34)9-10-28(24)43)23-16-40-42(27(23)13-19)22-7-4-6-20(14-22)30(45)41-11-5-8-26(41)29(38)44/h4,6-7,9-10,12-16,26,39,43,46H,5,8,11,17-18H2,1-3H3,(H2,38,44)/t26-,32?/m1/s1
InChIKeyOMYFHNLLWJSHBG-PSPFREQMSA-N
XLogP5.34
TPSA133.71 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.67
LogP ≤ 55.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R)-1-[3-[4-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

1-[3-[4-[5-(5-fluoro-2-methylphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexyl]-6-methylindazol-1-yl]benzoyl]piperidine-2-carboxamide
CID 59152128
(2R)-1-[3-[4-[[2-[[(2,6-dichlorobenzoyl)amino]methyl]-3-fluoro-2-hydroxypropyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide
CID 71019537
(2R)-1-[3-[4-[[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]-2-methylpyrrolidin-1-ium-1-carboxamide
CID 90708137
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[4-[[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzamide
CID 24782160
(2R)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[[(6-methyl-1-phenylindazol-4-yl)amino]methyl]pentan-2-ol
CID 66648438
N-(2-amino-2-oxoethyl)-3-[6-methyl-4-[[(2S)-3,3,3-trifluoro-2-hydroxy-2-[(N-propan-2-ylanilino)methyl]propyl]amino]indazol-1-yl]benzamide
CID 162586520
2,3-difluoro-N-[3,3,3-trifluoro-2-[[[1-(4-fluorophenyl)-6-methylindazol-4-yl]amino]methyl]-2-hydroxypropyl]benzamide
CID 87617756
benzyl 3-[4-[[2-[[di(propan-2-yl)amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]amino]-6-methylindazol-1-yl]benzoate
CID 71019792
1,1,1-trifluoro-2-[[[1-(4-fluorophenyl)-6-methylindazol-4-yl]amino]methyl]-3-(propylamino)propan-2-ol
CID 59324165
(2S)-1-[3-[5-[(2S)-2-(2,2-difluoropropanoylamino)-1-phenylpropoxy]indazol-1-yl]benzoyl]pyrrolidine-2-carboxamide
CID 143897072
(2S)-1-[3-[5-[(1R,2S)-2-(2,2-difluoropropanoylamino)-1-phenylpropoxy]indazol-1-yl]benzoyl]pyrrolidine-2-carboxamide
CID 57432087
[(1S,2S)-1-[1-[3-[(2R)-2-carbamoylpyrrolidine-1-carbonyl]phenyl]indazol-5-yl]oxy-1-phenylpropan-2-yl]carbamic acid
CID 68528067

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-[4-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[3-[4-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide (CID 24782661) is (2R)-1-[3-[4-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[3-[4-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[3-[4-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide is Cc1cc(NCC(O)(CC(C)(C)c2cc(F)ccc2O)C(F)(F)F)c2cnn(-c3cccc(C(=O)N4CCC[C@@H]4C(N)=O)c3)c2c1.
What is the InChIKey of (2R)-1-[3-[4-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is OMYFHNLLWJSHBG-PSPFREQMSA-N. The full InChI is InChI=1S/C33H35F4N5O4/c1-19-12-25(39-18-32(46,33(35,36)37)17-31(2,3)24-15-21(34)9-10-28(24)43)23-16-40-42(27(23)13-19)22-7-4-6-20(14-22)30(45)41-11-5-8-26(41)29(38)44/h4,6-7,9-10,12-16,26,39,43,46H,5,8,11,17-18H2,1-3H3,(H2,38,44)/t26-,32?/m1/s1.
What are the key properties of (2R)-1-[3-[4-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide?
(2R)-1-[3-[4-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 641.67 g/mol, XLogP of 5.34, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-[4-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 24782661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).