(2S,4R)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

C135H147F15N26O14 — CID 158123478

IUPAC(2S,4R)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)[C@@H]2CCN[C@H](C(F)(F)F)C2)cc1-c1cc(C2COCCO2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCNCC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCC(O)C2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCNCC2)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCC(O)C2)c1
InChIInChI=1S/2C27H29F3N6O2.2C27H28F3N5O3.C27H33F3N4O4/c1-18-2-3-21(33-26(37)19-4-5-32-23(14-19)27(28,29)30)17-22(18)20-15-24(35-8-6-31-7-9-35)34-25(16-20)36-10-12-38-13-11-36;1-18-23(16-22(17-32-18)33-26(37)19-3-2-4-21(13-19)27(28,29)30)20-14-24(35-7-5-31-6-8-35)34-25(15-20)36-9-11-38-12-10-36;1-17-2-3-20(32-26(37)18-4-6-31-23(12-18)27(28,29)30)15-22(17)19-13-24(34-8-10-38-11-9-34)33-25(14-19)35-7-5-21(36)16-35;1-17-23(14-21(15-31-17)32-26(37)18-3-2-4-20(11-18)27(28,29)30)19-12-24(34-7-9-38-10-8-34)33-25(13-19)35-6-5-22(36)16-35;1-17-2-3-20(32-26(35)18-4-5-31-24(13-18)27(28,29)30)15-21(17)19-12-22(23-16-37-10-11-38-23)33-25(14-19)34-6-8-36-9-7-34/h2-5,14-17,31H,6-13H2,1H3,(H,33,37);2-4,13-17,31H,5-12H2,1H3,(H,33,37);2-4,6,12-15,21,36H,5,7-11,16H2,1H3,(H,32,37);2-4,11-15,22,36H,5-10,16H2,1H3,(H,32,37);2-3,12,14-15,18,23-24,31H,4-11,13,16H2,1H3,(H,32,35)/t;;;;18-,23?,24+/m....1/s1
InChIKeyFRWNAKVUUDXQML-QHRFARMXSA-N
MW2642.80 g/mol
LogP20.05
Rot. Bonds25

About (2S,4R)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

(2S,4R)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 158123478) has the molecular formula C135H147F15N26O14 and a molecular weight of 2642.80 g/mol. Its IUPAC name is (2S,4R)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name(2S,4R)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID158123478
Molecular FormulaC135H147F15N26O14
Molecular Weight2642.80 g/mol
Exact Mass2641.14
IUPAC Name(2S,4R)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)[C@@H]2CCN[C@H](C(F)(F)F)C2)cc1-c1cc(C2COCCO2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCNCC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCC(O)C2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCNCC2)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCC(O)C2)c1
InChIInChI=1S/2C27H29F3N6O2.2C27H28F3N5O3.C27H33F3N4O4/c1-18-2-3-21(33-26(37)19-4-5-32-23(14-19)27(28,29)30)17-22(18)20-15-24(35-8-6-31-7-9-35)34-25(16-20)36-10-12-38-13-11-36;1-18-23(16-22(17-32-18)33-26(37)19-3-2-4-21(13-19)27(28,29)30)20-14-24(35-7-5-31-6-8-35)34-25(15-20)36-9-11-38-12-10-36;1-17-2-3-20(32-26(37)18-4-6-31-23(12-18)27(28,29)30)15-22(17)19-13-24(34-8-10-38-11-9-34)33-25(14-19)35-7-5-21(36)16-35;1-17-23(14-21(15-31-17)32-26(37)18-3-2-4-20(11-18)27(28,29)30)19-12-24(34-7-9-38-10-8-34)33-25(13-19)35-6-5-22(36)16-35;1-17-2-3-20(32-26(35)18-4-5-31-24(13-18)27(28,29)30)15-21(17)19-12-22(23-16-37-10-11-38-23)33-25(14-19)34-6-8-36-9-7-34/h2-5,14-17,31H,6-13H2,1H3,(H,33,37);2-4,13-17,31H,5-12H2,1H3,(H,33,37);2-4,6,12-15,21,36H,5,7-11,16H2,1H3,(H,32,37);2-4,11-15,22,36H,5-10,16H2,1H3,(H,32,37);2-3,12,14-15,18,23-24,31H,4-11,13,16H2,1H3,(H,32,35)/t;;;;18-,23?,24+/m....1/s1
InChIKeyFRWNAKVUUDXQML-QHRFARMXSA-N
XLogP20.05
TPSA431.83 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds25
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002642.80
LogP ≤ 520.05
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Analyze (2S,4R)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

2-(1,1-difluoroethyl)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-ylpyridin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90463054
2-(1,1-difluoroethyl)-N-[5-[2-(1,4-dioxan-2-yl)-6-morpholin-4-ylpyridin-4-yl]-6-methylpyridin-3-yl]pyridine-4-carboxamide
CID 117610005
N-[5-[2-(1,4-dioxan-2-yl)-6-morpholin-4-ylpyridin-4-yl]-6-methylpyridin-3-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 117610085
2-(1,1-difluoropropyl)-N-[5-[2-(1,4-dioxan-2-yl)-6-morpholin-4-ylpyridin-4-yl]-6-methylpyridin-3-yl]pyridine-4-carboxamide
CID 117609736
N-[5-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 117610092
2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-[[2-[2-morpholin-4-yl-6-[[2-[[2-[2-morpholin-4-yl-6-(oxolan-3-ylmethylamino)-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methyl]oxolan-3-yl]amino]-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methoxy]ethylamino]-4-pyridinyl]phenyl]pyridine-4-carboxamide
CID 130425807
2-(1,1-difluoroethyl)-N-[5-[2-(1,4-dioxan-2-yl)-6-piperidin-1-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 134379383
N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157288435
N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157573657
N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157591436
N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;2-(1,1-difluoropropyl)-N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157636624
N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157676676

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of (2S,4R)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 158123478) is (2S,4R)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for (2S,4R)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for (2S,4R)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)[C@@H]2CCN[C@H](C(F)(F)F)C2)cc1-c1cc(C2COCCO2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCNCC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCC(O)C2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCNCC2)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCC(O)C2)c1.
What is the InChIKey of (2S,4R)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is FRWNAKVUUDXQML-QHRFARMXSA-N. The full InChI is InChI=1S/2C27H29F3N6O2.2C27H28F3N5O3.C27H33F3N4O4/c1-18-2-3-21(33-26(37)19-4-5-32-23(14-19)27(28,29)30)17-22(18)20-15-24(35-8-6-31-7-9-35)34-25(16-20)36-10-12-38-13-11-36;1-18-23(16-22(17-32-18)33-26(37)19-3-2-4-21(13-19)27(28,29)30)20-14-24(35-7-5-31-6-8-35)34-25(15-20)36-9-11-38-12-10-36;1-17-2-3-20(32-26(37)18-4-6-31-23(12-18)27(28,29)30)15-22(17)19-13-24(34-8-10-38-11-9-34)33-25(14-19)35-7-5-21(36)16-35;1-17-23(14-21(15-31-17)32-26(37)18-3-2-4-20(11-18)27(28,29)30)19-12-24(34-7-9-38-10-8-34)33-25(13-19)35-6-5-22(36)16-35;1-17-2-3-20(32-26(35)18-4-5-31-24(13-18)27(28,29)30)15-21(17)19-12-22(23-16-37-10-11-38-23)33-25(14-19)34-6-8-36-9-7-34/h2-5,14-17,31H,6-13H2,1H3,(H,33,37);2-4,13-17,31H,5-12H2,1H3,(H,33,37);2-4,6,12-15,21,36H,5,7-11,16H2,1H3,(H,32,37);2-4,11-15,22,36H,5-10,16H2,1H3,(H,32,37);2-3,12,14-15,18,23-24,31H,4-11,13,16H2,1H3,(H,32,35)/t;;;;18-,23?,24+/m....1/s1.
What are the key properties of (2S,4R)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
(2S,4R)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 2642.80 g/mol, XLogP of 20.05, 25 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;N-[3-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-(2-morpholin-4-yl-6-piperazin-1-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 158123478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).