(3S)-N-[3-[2-[(3R,4R)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C110H142F12N22O12 — CID 159648077

IUPAC(3S)-N-[3-[2-[(3R,4R)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2CC(C)[C@@H](O)C2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2C[C@@H](C)[C@H](O)C2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2C[C@@H](N)[C@H](O)C2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2C[C@H](N)[C@@H](O)C2)c1
InChIInChI=1S/2C28H36F3N5O3.2C27H35F3N6O3/c2*1-18-3-4-22(32-27(38)35-6-5-20(16-35)14-28(29,30)31)13-23(18)21-11-25(34-7-9-39-10-8-34)33-26(12-21)36-15-19(2)24(37)17-36;2*1-17-2-3-20(32-26(38)35-5-4-18(14-35)13-27(28,29)30)12-21(17)19-10-24(34-6-8-39-9-7-34)33-25(11-19)36-15-22(31)23(37)16-36/h2*3-4,11-13,19-20,24,37H,5-10,14-17H2,1-2H3,(H,32,38);2*2-3,10-12,18,22-23,37H,4-9,13-16,31H2,1H3,(H,32,38)/t19?,20-,24-;19-,20+,24-;18-,22+,23+;18-,22-,23-/m0100/s1
InChIKeyMRFABFKJWCWZAS-AITZVSNBSA-N
MW2192.46 g/mol
LogP15.45
Rot. Bonds20

About (3S)-N-[3-[2-[(3R,4R)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

(3S)-N-[3-[2-[(3R,4R)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 159648077) has the molecular formula C110H142F12N22O12 and a molecular weight of 2192.46 g/mol. Its IUPAC name is (3S)-N-[3-[2-[(3R,4R)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-[2-[(3R,4R)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID159648077
Molecular FormulaC110H142F12N22O12
Molecular Weight2192.46 g/mol
Exact Mass2191.10
IUPAC Name(3S)-N-[3-[2-[(3R,4R)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2CC(C)[C@@H](O)C2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2C[C@@H](C)[C@H](O)C2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2C[C@@H](N)[C@H](O)C2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2C[C@H](N)[C@@H](O)C2)c1
InChIInChI=1S/2C28H36F3N5O3.2C27H35F3N6O3/c2*1-18-3-4-22(32-27(38)35-6-5-20(16-35)14-28(29,30)31)13-23(18)21-11-25(34-7-9-39-10-8-34)33-26(12-21)36-15-19(2)24(37)17-36;2*1-17-2-3-20(32-26(38)35-5-4-18(14-35)13-27(28,29)30)12-21(17)19-10-24(34-6-8-39-9-7-34)33-25(11-19)36-15-22(31)23(37)16-36/h2*3-4,11-13,19-20,24,37H,5-10,14-17H2,1-2H3,(H,32,38);2*2-3,10-12,18,22-23,37H,4-9,13-16,31H2,1H3,(H,32,38)/t19?,20-,24-;19-,20+,24-;18-,22+,23+;18-,22-,23-/m0100/s1
InChIKeyMRFABFKJWCWZAS-AITZVSNBSA-N
XLogP15.45
TPSA376.72 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002192.46
LogP ≤ 515.45
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze (3S)-N-[3-[2-[(3R,4R)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

US11098031, Example 135
CID 156296988
(3S)-N-[3-[2-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 156297378
(1-aminocyclopropyl)methanol;2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;[1-[(6-fluoro-4-iodo-2-pyridinyl)amino]cyclopropyl]methanol;[1-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]cyclopropyl]methanol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;sulfane;hydrochloride
CID 157094980
(2R)-3-aminopropane-1,2-diol;(3R)-N-[3-[2-[[(2R)-2,3-dihydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;(2R)-3-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]propane-1,2-diol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane
CID 157175800
(2S)-3-aminopropane-1,2-diol;(3R)-N-[3-[2-[[(2S)-2,3-dihydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;(2S)-3-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]propane-1,2-diol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane
CID 157175802
(3S)-N-[3-[2-[(4S)-3,3-difluoro-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(4R)-3,3-difluoro-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 157187173
(3R)-3-ethyl-N-[3-[2-[[(2R)-1-methoxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2R)-1-methoxypropan-2-yl]-6-morpholin-4-ylpyridin-2-amine;(2R)-1-methoxypropan-2-amine;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 157263452
(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-ylamino)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-6-morpholin-4-yl-N-(oxan-4-yl)pyridin-2-amine;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;oxan-4-amine;sulfane
CID 157387688
(1R,4R)-2-benzyl-2,5-diazabicyclo[2.2.1]heptan-7-ol;tert-butyl (1R,4R)-7-hydroxy-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4R)-7-hydroxy-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;(1R,4R)-7-fluoro-2-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-7-ol
CID 157427886
(2R)-2-[[4-(5-amino-4-fluoro-2-methylphenyl)-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol;3-ethyl-N-[2-fluoro-5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,5-dihydropyrrole-1-carboxamide;3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole;hydrochloride
CID 157529186
(3R)-3-ethyl-N-[3-[2-[[(2R)-1-methoxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-iodo-N-[(2R)-1-methoxypropan-2-yl]-6-morpholin-4-ylpyridin-2-amine;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane
CID 157533907
(3S)-N-[3-[2-[(3R)-3-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;formic acid;(3S)-N-[4-methyl-3-[2-[(3R)-3-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 157585216

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-[2-[(3R,4R)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[3-[2-[(3R,4R)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 159648077) is (3S)-N-[3-[2-[(3R,4R)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[3-[2-[(3R,4R)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[3-[2-[(3R,4R)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2CC(C)[C@@H](O)C2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2C[C@@H](C)[C@H](O)C2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2C[C@@H](N)[C@H](O)C2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2C[C@H](N)[C@@H](O)C2)c1.
What is the InChIKey of (3S)-N-[3-[2-[(3R,4R)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is MRFABFKJWCWZAS-AITZVSNBSA-N. The full InChI is InChI=1S/2C28H36F3N5O3.2C27H35F3N6O3/c2*1-18-3-4-22(32-27(38)35-6-5-20(16-35)14-28(29,30)31)13-23(18)21-11-25(34-7-9-39-10-8-34)33-26(12-21)36-15-19(2)24(37)17-36;2*1-17-2-3-20(32-26(38)35-5-4-18(14-35)13-27(28,29)30)12-21(17)19-10-24(34-6-8-39-9-7-34)33-25(11-19)36-15-22(31)23(37)16-36/h2*3-4,11-13,19-20,24,37H,5-10,14-17H2,1-2H3,(H,32,38);2*2-3,10-12,18,22-23,37H,4-9,13-16,31H2,1H3,(H,32,38)/t19?,20-,24-;19-,20+,24-;18-,22+,23+;18-,22-,23-/m0100/s1.
What are the key properties of (3S)-N-[3-[2-[(3R,4R)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
(3S)-N-[3-[2-[(3R,4R)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 2192.46 g/mol, XLogP of 15.45, 20 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-[2-[(3R,4R)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[3-[2-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 159648077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).