(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(6S)-6-(2-methylpropyl)-5,8-diazaspiro[3.5]nonan-8-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen

C65H88F9N15O3 — CID 160966672

IUPAC(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(6S)-6-(2-methylpropyl)-5,8-diazaspiro[3.5]nonan-8-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
SMILESCC(C)C[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CC2(CCC2)N1.CC[C@@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)C[C@H](C(C)C)N1.CC[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)C[C@H](C(C)C)N1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H28F3N5O.2C21H26F3N5O.4H2/c1-14(2)11-15-12-31(13-22(30-15)8-4-9-22)18-7-6-17(23(24,25)26)19(29-18)20(32)16-5-3-10-28-21(16)27;2*1-4-13-10-29(11-16(27-13)12(2)3)17-8-7-15(21(22,23)24)18(28-17)19(30)14-6-5-9-26-20(14)25;;;;/h3,5-7,10,14-15,30H,4,8-9,11-13H2,1-2H3,(H2,27,28);2*5-9,12-13,16,27H,4,10-11H2,1-3H3,(H2,25,26);4*1H/t15-;13-,16+;13-,16-;;;;/m001..../s1
InChIKeySXSFSJFIKYKQDZ-UTUAEECWSA-N
MW1298.50 g/mol
LogP12.08
Rot. Bonds15

About (2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(6S)-6-(2-methylpropyl)-5,8-diazaspiro[3.5]nonan-8-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen

(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(6S)-6-(2-methylpropyl)-5,8-diazaspiro[3.5]nonan-8-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 160966672) has the molecular formula C65H88F9N15O3 and a molecular weight of 1298.50 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(6S)-6-(2-methylpropyl)-5,8-diazaspiro[3.5]nonan-8-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(6S)-6-(2-methylpropyl)-5,8-diazaspiro[3.5]nonan-8-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
PubChem CID160966672
Molecular FormulaC65H88F9N15O3
Molecular Weight1298.50 g/mol
Exact Mass1297.71
IUPAC Name(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(6S)-6-(2-methylpropyl)-5,8-diazaspiro[3.5]nonan-8-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
SMILESCC(C)C[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CC2(CCC2)N1.CC[C@@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)C[C@H](C(C)C)N1.CC[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)C[C@H](C(C)C)N1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H28F3N5O.2C21H26F3N5O.4H2/c1-14(2)11-15-12-31(13-22(30-15)8-4-9-22)18-7-6-17(23(24,25)26)19(29-18)20(32)16-5-3-10-28-21(16)27;2*1-4-13-10-29(11-16(27-13)12(2)3)17-8-7-15(21(22,23)24)18(28-17)19(30)14-6-5-9-26-20(14)25;;;;/h3,5-7,10,14-15,30H,4,8-9,11-13H2,1-2H3,(H2,27,28);2*5-9,12-13,16,27H,4,10-11H2,1-3H3,(H2,25,26);4*1H/t15-;13-,16+;13-,16-;;;;/m001..../s1
InChIKeySXSFSJFIKYKQDZ-UTUAEECWSA-N
XLogP12.08
TPSA252.42 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001298.50
LogP ≤ 512.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze (2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(6S)-6-(2-methylpropyl)-5,8-diazaspiro[3.5]nonan-8-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen with MolForge

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Launch Full Analysis

Related Compounds

(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 161397351
(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
CID 159071801
(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;molecular hydrogen
CID 162186474
(2-amino-3-pyridinyl)-[3-cyclopropyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
CID 157168458
1-[2-(2-aminopyridine-3-carbonyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]ethanone;molecular hydrogen
CID 159543887
[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
CID 159182501
(2-amino-5-chloro-3-pyridinyl)-[6-[(3S,5S)-3-methyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 159468485
[6-[[(2R)-2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 159444107
(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(2-hydroxyethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(trifluoromethyl)-6-[(2S)-2,3,3-trimethylbutoxy]-2-pyridinyl]methanone;molecular hydrogen
CID 160760286
(2-amino-3-pyridinyl)-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(1-fluoroethenyl)-2-pyridinyl]methanone;molecular hydrogen
CID 160753287
[6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;molecular hydrogen
CID 160611907
(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-(3-methylbutyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 130450153

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(6S)-6-(2-methylpropyl)-5,8-diazaspiro[3.5]nonan-8-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The IUPAC name of (2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(6S)-6-(2-methylpropyl)-5,8-diazaspiro[3.5]nonan-8-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen (CID 160966672) is (2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(6S)-6-(2-methylpropyl)-5,8-diazaspiro[3.5]nonan-8-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen.
What is the SMILES notation for (2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(6S)-6-(2-methylpropyl)-5,8-diazaspiro[3.5]nonan-8-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The canonical SMILES for (2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(6S)-6-(2-methylpropyl)-5,8-diazaspiro[3.5]nonan-8-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen is CC(C)C[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CC2(CCC2)N1.CC[C@@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)C[C@H](C(C)C)N1.CC[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)C[C@H](C(C)C)N1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of (2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(6S)-6-(2-methylpropyl)-5,8-diazaspiro[3.5]nonan-8-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The InChIKey is SXSFSJFIKYKQDZ-UTUAEECWSA-N. The full InChI is InChI=1S/C23H28F3N5O.2C21H26F3N5O.4H2/c1-14(2)11-15-12-31(13-22(30-15)8-4-9-22)18-7-6-17(23(24,25)26)19(29-18)20(32)16-5-3-10-28-21(16)27;2*1-4-13-10-29(11-16(27-13)12(2)3)17-8-7-15(21(22,23)24)18(28-17)19(30)14-6-5-9-26-20(14)25;;;;/h3,5-7,10,14-15,30H,4,8-9,11-13H2,1-2H3,(H2,27,28);2*5-9,12-13,16,27H,4,10-11H2,1-3H3,(H2,25,26);4*1H/t15-;13-,16+;13-,16-;;;;/m001..../s1.
What are the key properties of (2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(6S)-6-(2-methylpropyl)-5,8-diazaspiro[3.5]nonan-8-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(6S)-6-(2-methylpropyl)-5,8-diazaspiro[3.5]nonan-8-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 1298.50 g/mol, XLogP of 12.08, 15 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(6S)-6-(2-methylpropyl)-5,8-diazaspiro[3.5]nonan-8-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 160966672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).