(2-amino-3-pyridinyl)-[3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;methane

C116H132F5N23O7 — CID 158642743

IUPAC(2-amino-3-pyridinyl)-[3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;methane
SMILESC.C/C=C/c1ccc(N2CCCC(c3ccccc3)C2)nc1C(=O)c1cccnc1N.C/C=C/c1ccc(N2CCN[C@@H](CC(C)C)C2)nc1C(=O)c1cccnc1N.C/C=C\c1ccc(N2CCCC(c3ccccc3)C2)nc1C(=O)c1cccnc1N.CC(C)C[C@H]1CN(c2ccc(OCC(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.Nc1ncccc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1OC(F)F
InChIInChI=1S/2C25H26N4O.C22H21F2N5O2.C22H29N5O.C21H26F3N5O2.CH4/c2*1-2-8-19-13-14-22(28-23(19)24(30)21-12-6-15-27-25(21)26)29-16-7-11-20(17-29)18-9-4-3-5-10-18;23-22(24)31-17-8-9-18(28-19(17)20(30)15-7-4-10-27-21(15)25)29-12-11-26-16(13-29)14-5-2-1-3-6-14;1-4-6-16-8-9-19(27-12-11-24-17(14-27)13-15(2)3)26-20(16)21(28)18-7-5-10-25-22(18)23;1-13(2)10-14-11-29(9-8-26-14)17-6-5-16(31-12-21(22,23)24)18(28-17)19(30)15-4-3-7-27-20(15)25;/h2*2-6,8-10,12-15,20H,7,11,16-17H2,1H3,(H2,26,27);1-10,16,22,26H,11-13H2,(H2,25,27);4-10,15,17,24H,11-14H2,1-3H3,(H2,23,25);3-7,13-14,26H,8-12H2,1-2H3,(H2,25,27);1H4/b8-2+;8-2-;;6-4+;;/t;;;17-;14-;/m...00./s1
InChIKeyIAPAEPFBDFAGNZ-UZJSWFLPSA-N
MW2055.48 g/mol
LogP19.29
Rot. Bonds29

About (2-amino-3-pyridinyl)-[3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;methane

(2-amino-3-pyridinyl)-[3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;methane (PubChem CID 158642743) has the molecular formula C116H132F5N23O7 and a molecular weight of 2055.48 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;methane.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;methane
PubChem CID158642743
Molecular FormulaC116H132F5N23O7
Molecular Weight2055.48 g/mol
Exact Mass2054.06
IUPAC Name(2-amino-3-pyridinyl)-[3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;methane
SMILESC.C/C=C/c1ccc(N2CCCC(c3ccccc3)C2)nc1C(=O)c1cccnc1N.C/C=C/c1ccc(N2CCN[C@@H](CC(C)C)C2)nc1C(=O)c1cccnc1N.C/C=C\c1ccc(N2CCCC(c3ccccc3)C2)nc1C(=O)c1cccnc1N.CC(C)C[C@H]1CN(c2ccc(OCC(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.Nc1ncccc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1OC(F)F
InChIInChI=1S/2C25H26N4O.C22H21F2N5O2.C22H29N5O.C21H26F3N5O2.CH4/c2*1-2-8-19-13-14-22(28-23(19)24(30)21-12-6-15-27-25(21)26)29-16-7-11-20(17-29)18-9-4-3-5-10-18;23-22(24)31-17-8-9-18(28-19(17)20(30)15-7-4-10-27-21(15)25)29-12-11-26-16(13-29)14-5-2-1-3-6-14;1-4-6-16-8-9-19(27-12-11-24-17(14-27)13-15(2)3)26-20(16)21(28)18-7-5-10-25-22(18)23;1-13(2)10-14-11-29(9-8-26-14)17-6-5-16(31-12-21(22,23)24)18(28-17)19(30)15-4-3-7-27-20(15)25;/h2*2-6,8-10,12-15,20H,7,11,16-17H2,1H3,(H2,26,27);1-10,16,22,26H,11-13H2,(H2,25,27);4-10,15,17,24H,11-14H2,1-3H3,(H2,23,25);3-7,13-14,26H,8-12H2,1-2H3,(H2,25,27);1H4/b8-2+;8-2-;;6-4+;;/t;;;17-;14-;/m...00./s1
InChIKeyIAPAEPFBDFAGNZ-UZJSWFLPSA-N
XLogP19.29
TPSA415.10 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds29
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002055.48
LogP ≤ 519.29
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Analyze (2-amino-3-pyridinyl)-[3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;methane 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)-[3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyridin-2-yl]methanone
CID 57690531
(2-Aminopyridin-3-yl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 24994418
(2-Aminopyridin-3-yl)-[3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)pyridin-2-yl]methanone
CID 24994726
[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-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 58207559
[3-(Difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 58207582
N-[4-[2-(4-fluoroanilino)-6-[[3-(2-fluoropyridine-3-carbonyl)phenoxy]methyl]-4-pyridinyl]-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide
CID 58263731
Methyl 2-[[1-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoate
CID 58429053
Methyl 2-[[1-[5-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperidin-4-yl]methoxy]benzoate
CID 67415041
[3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone
CID 67739774

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;methane?
The IUPAC name of (2-amino-3-pyridinyl)-[3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;methane (CID 158642743) is (2-amino-3-pyridinyl)-[3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;methane.
What is the SMILES notation for (2-amino-3-pyridinyl)-[3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;methane?
The canonical SMILES for (2-amino-3-pyridinyl)-[3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;methane is C.C/C=C/c1ccc(N2CCCC(c3ccccc3)C2)nc1C(=O)c1cccnc1N.C/C=C/c1ccc(N2CCN[C@@H](CC(C)C)C2)nc1C(=O)c1cccnc1N.C/C=C\c1ccc(N2CCCC(c3ccccc3)C2)nc1C(=O)c1cccnc1N.CC(C)C[C@H]1CN(c2ccc(OCC(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.Nc1ncccc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1OC(F)F.
What is the InChIKey of (2-amino-3-pyridinyl)-[3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;methane?
The InChIKey is IAPAEPFBDFAGNZ-UZJSWFLPSA-N. The full InChI is InChI=1S/2C25H26N4O.C22H21F2N5O2.C22H29N5O.C21H26F3N5O2.CH4/c2*1-2-8-19-13-14-22(28-23(19)24(30)21-12-6-15-27-25(21)26)29-16-7-11-20(17-29)18-9-4-3-5-10-18;23-22(24)31-17-8-9-18(28-19(17)20(30)15-7-4-10-27-21(15)25)29-12-11-26-16(13-29)14-5-2-1-3-6-14;1-4-6-16-8-9-19(27-12-11-24-17(14-27)13-15(2)3)26-20(16)21(28)18-7-5-10-25-22(18)23;1-13(2)10-14-11-29(9-8-26-14)17-6-5-16(31-12-21(22,23)24)18(28-17)19(30)15-4-3-7-27-20(15)25;/h2*2-6,8-10,12-15,20H,7,11,16-17H2,1H3,(H2,26,27);1-10,16,22,26H,11-13H2,(H2,25,27);4-10,15,17,24H,11-14H2,1-3H3,(H2,23,25);3-7,13-14,26H,8-12H2,1-2H3,(H2,25,27);1H4/b8-2+;8-2-;;6-4+;;/t;;;17-;14-;/m...00./s1.
What are the key properties of (2-amino-3-pyridinyl)-[3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;methane?
(2-amino-3-pyridinyl)-[3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;methane has a molecular weight of 2055.48 g/mol, XLogP of 19.29, 29 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;methane is sourced from PubChem (CID 158642743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).