(2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen

C80H90F6N20O4S — CID 158103359

IUPAC(2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
SMILESCc1ccc(N2CCNC(c3ccccc3)C2)nc1C(=O)c1cccnc1N.Cc1sc(N2CCNC(c3ccccc3)C2)nc1C(=O)c1cccnc1N.Nc1ncccc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(N2CCNCC2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H20F3N5O.C22H23N5O.C20H21N5OS.C16H16F3N5O.5H2/c23-22(24,25)16-8-9-18(29-19(16)20(31)15-7-4-10-28-21(15)26)30-12-11-27-17(13-30)14-5-2-1-3-6-14;1-15-9-10-19(26-20(15)21(28)17-8-5-11-25-22(17)23)27-13-12-24-18(14-27)16-6-3-2-4-7-16;1-13-17(18(26)15-8-5-9-23-19(15)21)24-20(27-13)25-11-10-22-16(12-25)14-6-3-2-4-7-14;17-16(18,19)11-3-4-12(24-8-6-21-7-9-24)23-13(11)14(25)10-2-1-5-22-15(10)20;;;;;/h1-10,17,27H,11-13H2,(H2,26,28);2-11,18,24H,12-14H2,1H3,(H2,23,25);2-9,16,22H,10-12H2,1H3,(H2,21,23);1-5,21H,6-9H2,(H2,20,22);5*1H
InChIKeyFPNRJOYUNLCGNN-UHFFFAOYSA-N
MW1541.79 g/mol
LogP11.97
Rot. Bonds15

About (2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen

(2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 158103359) has the molecular formula C80H90F6N20O4S and a molecular weight of 1541.79 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
PubChem CID158103359
Molecular FormulaC80H90F6N20O4S
Molecular Weight1541.79 g/mol
Exact Mass1540.71
IUPAC Name(2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
SMILESCc1ccc(N2CCNC(c3ccccc3)C2)nc1C(=O)c1cccnc1N.Cc1sc(N2CCNC(c3ccccc3)C2)nc1C(=O)c1cccnc1N.Nc1ncccc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(N2CCNCC2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H20F3N5O.C22H23N5O.C20H21N5OS.C16H16F3N5O.5H2/c23-22(24,25)16-8-9-18(29-19(16)20(31)15-7-4-10-28-21(15)26)30-12-11-27-17(13-30)14-5-2-1-3-6-14;1-15-9-10-19(26-20(15)21(28)17-8-5-11-25-22(17)23)27-13-12-24-18(14-27)16-6-3-2-4-7-16;1-13-17(18(26)15-8-5-9-23-19(15)21)24-20(27-13)25-11-10-22-16(12-25)14-6-3-2-4-7-14;17-16(18,19)11-3-4-12(24-8-6-21-7-9-24)23-13(11)14(25)10-2-1-5-22-15(10)20;;;;;/h1-10,17,27H,11-13H2,(H2,26,28);2-11,18,24H,12-14H2,1H3,(H2,23,25);2-9,16,22H,10-12H2,1H3,(H2,21,23);1-5,21H,6-9H2,(H2,20,22);5*1H
InChIKeyFPNRJOYUNLCGNN-UHFFFAOYSA-N
XLogP11.97
TPSA336.56 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001541.79
LogP ≤ 511.97
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze (2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen with MolForge

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Launch Full Analysis

Related Compounds

4-[4-(4-Methylpiperazin-1-yl)anilino]-2-[3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]phenyl]-1,3-thiazole-5-carboxamide
CID 155528057
[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methylpyridin-2-yl)-1,3-thiazol-4-yl]methanone
CID 130341876
US11964953, Example 53
CID 166792516
US11964953, Example 29.2
CID 166792546
US11964953, Example 29
CID 166792547
US11964953, Example 284
CID 166792576
US11964953, Example 159
CID 166792622
US11964953, Example 275
CID 166792642
US11964953, Example 53.2
CID 166792679
US11964953, Example 53.1
CID 166792763
US11964953, Example 29.1
CID 166792812
6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 9981982

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The IUPAC name of (2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen (CID 158103359) is (2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen.
What is the SMILES notation for (2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The canonical SMILES for (2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen is Cc1ccc(N2CCNC(c3ccccc3)C2)nc1C(=O)c1cccnc1N.Cc1sc(N2CCNC(c3ccccc3)C2)nc1C(=O)c1cccnc1N.Nc1ncccc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(N2CCNCC2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of (2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The InChIKey is FPNRJOYUNLCGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O.C22H23N5O.C20H21N5OS.C16H16F3N5O.5H2/c23-22(24,25)16-8-9-18(29-19(16)20(31)15-7-4-10-28-21(15)26)30-12-11-27-17(13-30)14-5-2-1-3-6-14;1-15-9-10-19(26-20(15)21(28)17-8-5-11-25-22(17)23)27-13-12-24-18(14-27)16-6-3-2-4-7-16;1-13-17(18(26)15-8-5-9-23-19(15)21)24-20(27-13)25-11-10-22-16(12-25)14-6-3-2-4-7-14;17-16(18,19)11-3-4-12(24-8-6-21-7-9-24)23-13(11)14(25)10-2-1-5-22-15(10)20;;;;;/h1-10,17,27H,11-13H2,(H2,26,28);2-11,18,24H,12-14H2,1H3,(H2,23,25);2-9,16,22H,10-12H2,1H3,(H2,21,23);1-5,21H,6-9H2,(H2,20,22);5*1H.
What are the key properties of (2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
(2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 1541.79 g/mol, XLogP of 11.97, 15 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 158103359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).