[6-[(2-aminocyclohexyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-amino-2-phenylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;molecular hydrogen

C84H105F6N19O5 — CID 159521873

IUPAC[6-[(2-aminocyclohexyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-amino-2-phenylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;molecular hydrogen
SMILESCC(C)C[C@H]1CN(c2ccc(-c3ccccc3)c(C(=O)c3cccnc3N)n2)CCN1.Nc1ncccc1C(=O)c1nc(N2CCNCC2)ccc1-c1ccccc1.Nc1ncccc1C(=O)c1nc(NC2CCCCC2N)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(OCC(N)c2ccccc2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H29N5O.C21H21N5O.C20H17F3N4O2.C18H20F3N5O.9H2/c1-17(2)15-19-16-30(14-13-27-19)22-11-10-20(18-7-4-3-5-8-18)23(29-22)24(31)21-9-6-12-28-25(21)26;22-21-17(7-4-10-24-21)20(27)19-16(15-5-2-1-3-6-15)8-9-18(25-19)26-13-11-23-12-14-26;21-20(22,23)14-8-9-16(29-11-15(24)12-5-2-1-3-6-12)27-17(14)18(28)13-7-4-10-26-19(13)25;19-18(20,21)11-7-8-14(25-13-6-2-1-5-12(13)22)26-15(11)16(27)10-4-3-9-24-17(10)23;;;;;;;;;/h3-12,17,19,27H,13-16H2,1-2H3,(H2,26,28);1-10,23H,11-14H2,(H2,22,24);1-10,15H,11,24H2,(H2,25,26);3-4,7-9,12-13H,1-2,5-6,22H2,(H2,23,24)(H,25,26);9*1H/t19-;;;;;;;;;;;;/m0............/s1
InChIKeyMBXCNOOMGJVVSV-SARYEQCUSA-N
MW1574.88 g/mol
LogP14.74
Rot. Bonds20

About [6-[(2-aminocyclohexyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-amino-2-phenylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;molecular hydrogen

[6-[(2-aminocyclohexyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-amino-2-phenylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;molecular hydrogen (PubChem CID 159521873) has the molecular formula C84H105F6N19O5 and a molecular weight of 1574.88 g/mol. Its IUPAC name is [6-[(2-aminocyclohexyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-amino-2-phenylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;molecular hydrogen.

Molecular Properties

Compound Name[6-[(2-aminocyclohexyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-amino-2-phenylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;molecular hydrogen
PubChem CID159521873
Molecular FormulaC84H105F6N19O5
Molecular Weight1574.88 g/mol
Exact Mass1573.85
IUPAC Name[6-[(2-aminocyclohexyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-amino-2-phenylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;molecular hydrogen
SMILESCC(C)C[C@H]1CN(c2ccc(-c3ccccc3)c(C(=O)c3cccnc3N)n2)CCN1.Nc1ncccc1C(=O)c1nc(N2CCNCC2)ccc1-c1ccccc1.Nc1ncccc1C(=O)c1nc(NC2CCCCC2N)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(OCC(N)c2ccccc2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H29N5O.C21H21N5O.C20H17F3N4O2.C18H20F3N5O.9H2/c1-17(2)15-19-16-30(14-13-27-19)22-11-10-20(18-7-4-3-5-8-18)23(29-22)24(31)21-9-6-12-28-25(21)26;22-21-17(7-4-10-24-21)20(27)19-16(15-5-2-1-3-6-15)8-9-18(25-19)26-13-11-23-12-14-26;21-20(22,23)14-8-9-16(29-11-15(24)12-5-2-1-3-6-12)27-17(14)18(28)13-7-4-10-26-19(13)25;19-18(20,21)11-7-8-14(25-13-6-2-1-5-12(13)22)26-15(11)16(27)10-4-3-9-24-17(10)23;;;;;;;;;/h3-12,17,19,27H,13-16H2,1-2H3,(H2,26,28);1-10,23H,11-14H2,(H2,22,24);1-10,15H,11,24H2,(H2,25,26);3-4,7-9,12-13H,1-2,5-6,22H2,(H2,23,24)(H,25,26);9*1H/t19-;;;;;;;;;;;;/m0............/s1
InChIKeyMBXCNOOMGJVVSV-SARYEQCUSA-N
XLogP14.74
TPSA379.32 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001574.88
LogP ≤ 514.74
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Analyze [6-[(2-aminocyclohexyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-amino-2-phenylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;molecular hydrogen with MolForge

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Launch Full Analysis

Related Compounds

(2-aminopyridin-3-yl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanone
CID 24994728
(2-Aminopyridin-3-yl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 24994418
[6-(3-Amino-3-phenylpropoxy)-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 44816616
[6-[2-Amino-2-(oxan-4-yl)ethoxy]-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 44816955
[6-(2-Amino-2-phenylbutoxy)-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 44817132
[6-(2-Amino-2-phenylethoxy)-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 57690666
[6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 57690821
[6-[3-(3-Methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 58207385
[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 58207395
[3-(Difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 58207582
[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-pyridin-3-ylmethanone
CID 67739791
[6-[3-(3-Methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethanone
CID 67739893

Frequently Asked Questions

What is the IUPAC name of [6-[(2-aminocyclohexyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-amino-2-phenylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;molecular hydrogen?
The IUPAC name of [6-[(2-aminocyclohexyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-amino-2-phenylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;molecular hydrogen (CID 159521873) is [6-[(2-aminocyclohexyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-amino-2-phenylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;molecular hydrogen.
What is the SMILES notation for [6-[(2-aminocyclohexyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-amino-2-phenylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;molecular hydrogen?
The canonical SMILES for [6-[(2-aminocyclohexyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-amino-2-phenylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;molecular hydrogen is CC(C)C[C@H]1CN(c2ccc(-c3ccccc3)c(C(=O)c3cccnc3N)n2)CCN1.Nc1ncccc1C(=O)c1nc(N2CCNCC2)ccc1-c1ccccc1.Nc1ncccc1C(=O)c1nc(NC2CCCCC2N)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(OCC(N)c2ccccc2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of [6-[(2-aminocyclohexyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-amino-2-phenylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;molecular hydrogen?
The InChIKey is MBXCNOOMGJVVSV-SARYEQCUSA-N. The full InChI is InChI=1S/C25H29N5O.C21H21N5O.C20H17F3N4O2.C18H20F3N5O.9H2/c1-17(2)15-19-16-30(14-13-27-19)22-11-10-20(18-7-4-3-5-8-18)23(29-22)24(31)21-9-6-12-28-25(21)26;22-21-17(7-4-10-24-21)20(27)19-16(15-5-2-1-3-6-15)8-9-18(25-19)26-13-11-23-12-14-26;21-20(22,23)14-8-9-16(29-11-15(24)12-5-2-1-3-6-12)27-17(14)18(28)13-7-4-10-26-19(13)25;19-18(20,21)11-7-8-14(25-13-6-2-1-5-12(13)22)26-15(11)16(27)10-4-3-9-24-17(10)23;;;;;;;;;/h3-12,17,19,27H,13-16H2,1-2H3,(H2,26,28);1-10,23H,11-14H2,(H2,22,24);1-10,15H,11,24H2,(H2,25,26);3-4,7-9,12-13H,1-2,5-6,22H2,(H2,23,24)(H,25,26);9*1H/t19-;;;;;;;;;;;;/m0............/s1.
What are the key properties of [6-[(2-aminocyclohexyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-amino-2-phenylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;molecular hydrogen?
[6-[(2-aminocyclohexyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-amino-2-phenylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;molecular hydrogen has a molecular weight of 1574.88 g/mol, XLogP of 14.74, 20 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-aminocyclohexyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-amino-2-phenylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;molecular hydrogen is sourced from PubChem (CID 159521873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).