(2-amino-3-pyridinyl)-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-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)-[3-(1-fluoroethenyl)-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen

C90H113ClF6N20O4 — CID 158088770

IUPAC(2-amino-3-pyridinyl)-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-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)-[3-(1-fluoroethenyl)-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
SMILESC=C(F)c1ccc(N2CCNC(c3cccc(Cl)c3)C2)nc1C(=O)c1cccnc1N.C=C(F)c1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1C(=O)c1cccnc1N.C=C(F)c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1C(=O)c1cccnc1N.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].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H21ClFN5O.2C23H22FN5O.C21H26F3N5O.11H2/c1-14(25)17-7-8-20(29-21(17)22(31)18-6-3-9-28-23(18)26)30-11-10-27-19(13-30)15-4-2-5-16(24)12-15;2*1-15(24)17-9-10-20(28-21(17)22(30)18-8-5-11-27-23(18)25)29-13-12-26-19(14-29)16-6-3-2-4-7-16;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;;;;;;;;;;;/h2-9,12,19,27H,1,10-11,13H2,(H2,26,28);2*2-11,19,26H,1,12-14H2,(H2,25,27);5-9,12-13,16,27H,4,10-11H2,1-3H3,(H2,25,26);11*1H/t;2*19-;13-,16+;;;;;;;;;;;/m.100.........../s1
InChIKeyFNVLJINDHLNJQH-KIZVZJNKSA-N
MW1688.47 g/mol
LogP17.02
Rot. Bonds20

About (2-amino-3-pyridinyl)-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-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)-[3-(1-fluoroethenyl)-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen

(2-amino-3-pyridinyl)-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-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)-[3-(1-fluoroethenyl)-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 158088770) has the molecular formula C90H113ClF6N20O4 and a molecular weight of 1688.47 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-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)-[3-(1-fluoroethenyl)-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-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)-[3-(1-fluoroethenyl)-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
PubChem CID158088770
Molecular FormulaC90H113ClF6N20O4
Molecular Weight1688.47 g/mol
Exact Mass1686.88
IUPAC Name(2-amino-3-pyridinyl)-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-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)-[3-(1-fluoroethenyl)-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
SMILESC=C(F)c1ccc(N2CCNC(c3cccc(Cl)c3)C2)nc1C(=O)c1cccnc1N.C=C(F)c1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1C(=O)c1cccnc1N.C=C(F)c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1C(=O)c1cccnc1N.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].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H21ClFN5O.2C23H22FN5O.C21H26F3N5O.11H2/c1-14(25)17-7-8-20(29-21(17)22(31)18-6-3-9-28-23(18)26)30-11-10-27-19(13-30)15-4-2-5-16(24)12-15;2*1-15(24)17-9-10-20(28-21(17)22(30)18-8-5-11-27-23(18)25)29-13-12-26-19(14-29)16-6-3-2-4-7-16;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;;;;;;;;;;;/h2-9,12,19,27H,1,10-11,13H2,(H2,26,28);2*2-11,19,26H,1,12-14H2,(H2,25,27);5-9,12-13,16,27H,4,10-11H2,1-3H3,(H2,25,26);11*1H/t;2*19-;13-,16+;;;;;;;;;;;/m.100.........../s1
InChIKeyFNVLJINDHLNJQH-KIZVZJNKSA-N
XLogP17.02
TPSA336.56 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001688.47
LogP ≤ 517.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze (2-amino-3-pyridinyl)-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-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)-[3-(1-fluoroethenyl)-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen with MolForge

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Launch Full Analysis

Related Compounds

(S)-(2-aminopyridin-3-yl)(6-(3-isobutylpiperazin-1-yl)-3-(trifluoromethyl)pyridin-2-yl)methanone
CID 24995659
(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 24995663
(3-Chlorophenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119099030
(2-Aminopyridin-3-yl)-[3-(difluoromethyl)-6-(3-phenylpiperazin-1-yl)pyridin-2-yl]methanone
CID 24994414
(2-Aminopyridin-3-yl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 24994723
(2-Aminopyridin-3-yl)-[3-(1,1-difluoroethyl)-6-(3-phenylpiperazin-1-yl)pyridin-2-yl]methanone
CID 24995039
(2-aminopyridin-3-yl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 24995356
(2-aminopyridin-3-yl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 44814539
(2-aminopyridin-3-yl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 44814540
(2-aminopyridin-3-yl)-[6-[(3R,5S)-3-phenyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 44814541
(2-aminopyridin-3-yl)-[6-[(3S,5S)-3-phenyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 44814542
(2-Aminopyridin-3-yl)-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 44814919

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-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)-[3-(1-fluoroethenyl)-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?
The IUPAC name of (2-amino-3-pyridinyl)-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-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)-[3-(1-fluoroethenyl)-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen (CID 158088770) is (2-amino-3-pyridinyl)-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-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)-[3-(1-fluoroethenyl)-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen.
What is the SMILES notation for (2-amino-3-pyridinyl)-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-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)-[3-(1-fluoroethenyl)-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?
The canonical SMILES for (2-amino-3-pyridinyl)-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-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)-[3-(1-fluoroethenyl)-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen is C=C(F)c1ccc(N2CCNC(c3cccc(Cl)c3)C2)nc1C(=O)c1cccnc1N.C=C(F)c1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1C(=O)c1cccnc1N.C=C(F)c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1C(=O)c1cccnc1N.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].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of (2-amino-3-pyridinyl)-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-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)-[3-(1-fluoroethenyl)-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?
The InChIKey is FNVLJINDHLNJQH-KIZVZJNKSA-N. The full InChI is InChI=1S/C23H21ClFN5O.2C23H22FN5O.C21H26F3N5O.11H2/c1-14(25)17-7-8-20(29-21(17)22(31)18-6-3-9-28-23(18)26)30-11-10-27-19(13-30)15-4-2-5-16(24)12-15;2*1-15(24)17-9-10-20(28-21(17)22(30)18-8-5-11-27-23(18)25)29-13-12-26-19(14-29)16-6-3-2-4-7-16;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;;;;;;;;;;;/h2-9,12,19,27H,1,10-11,13H2,(H2,26,28);2*2-11,19,26H,1,12-14H2,(H2,25,27);5-9,12-13,16,27H,4,10-11H2,1-3H3,(H2,25,26);11*1H/t;2*19-;13-,16+;;;;;;;;;;;/m.100.........../s1.
What are the key properties of (2-amino-3-pyridinyl)-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-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)-[3-(1-fluoroethenyl)-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?
(2-amino-3-pyridinyl)-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-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)-[3-(1-fluoroethenyl)-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 1688.47 g/mol, XLogP of 17.02, 20 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-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)-[3-(1-fluoroethenyl)-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 158088770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).