(2-amino-3-pyridinyl)-[3-(2,2-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone;3-[1-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]ethenyl]pyridin-2-amine

C114H135F8N23O5 — CID 157420647

IUPAC(2-amino-3-pyridinyl)-[3-(2,2-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone;3-[1-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]ethenyl]pyridin-2-amine
SMILESC/C=C\c1ccc(N2CCN[C@@H](CC(C)C)C2)nc1C(=O)c1cccnc1N.C=C(c1cccnc1N)c1nc(N2CCNC(c3cccc(OC)c3)C2)ccc1C(F)(F)F.CC(C)C[C@@H]1CCCN(c2ccc(CC(F)F)c(C(=O)c3cccnc3N)n2)C1.CCCc1ccc(N2CCN[C@@H](CC(C)C)C2)nc1C(=O)c1cccnc1N.Cc1cccc(C2CCCN(c3ccc(C(F)(F)F)c(C(=O)c4cccnc4N)n3)C2)c1
InChIInChI=1S/C24H24F3N5O.C24H23F3N4O.C22H28F2N4O.C22H31N5O.C22H29N5O/c1-15(18-7-4-10-30-23(18)28)22-19(24(25,26)27)8-9-21(31-22)32-12-11-29-20(14-32)16-5-3-6-17(13-16)33-2;1-15-5-2-6-16(13-15)17-7-4-12-31(14-17)20-10-9-19(24(25,26)27)21(30-20)22(32)18-8-3-11-29-23(18)28;1-14(2)11-15-5-4-10-28(13-15)19-8-7-16(12-18(23)24)20(27-19)21(29)17-6-3-9-26-22(17)25;2*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/h3-10,13,20,29H,1,11-12,14H2,2H3,(H2,28,30);2-3,5-6,8-11,13,17H,4,7,12,14H2,1H3,(H2,28,29);3,6-9,14-15,18H,4-5,10-13H2,1-2H3,(H2,25,26);5,7-10,15,17,24H,4,6,11-14H2,1-3H3,(H2,23,25);4-10,15,17,24H,11-14H2,1-3H3,(H2,23,25)/b;;;;6-4-/t;;15-;2*17-/m..000/s1
InChIKeyBPJAWODAVCQADH-PXAIONQWSA-N
MW2059.47 g/mol
LogP19.87
Rot. Bonds29

About (2-amino-3-pyridinyl)-[3-(2,2-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone;3-[1-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]ethenyl]pyridin-2-amine

(2-amino-3-pyridinyl)-[3-(2,2-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone;3-[1-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]ethenyl]pyridin-2-amine (PubChem CID 157420647) has the molecular formula C114H135F8N23O5 and a molecular weight of 2059.47 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[3-(2,2-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone;3-[1-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]ethenyl]pyridin-2-amine.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[3-(2,2-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone;3-[1-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]ethenyl]pyridin-2-amine
PubChem CID157420647
Molecular FormulaC114H135F8N23O5
Molecular Weight2059.47 g/mol
Exact Mass2058.09
IUPAC Name(2-amino-3-pyridinyl)-[3-(2,2-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone;3-[1-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]ethenyl]pyridin-2-amine
SMILESC/C=C\c1ccc(N2CCN[C@@H](CC(C)C)C2)nc1C(=O)c1cccnc1N.C=C(c1cccnc1N)c1nc(N2CCNC(c3cccc(OC)c3)C2)ccc1C(F)(F)F.CC(C)C[C@@H]1CCCN(c2ccc(CC(F)F)c(C(=O)c3cccnc3N)n2)C1.CCCc1ccc(N2CCN[C@@H](CC(C)C)C2)nc1C(=O)c1cccnc1N.Cc1cccc(C2CCCN(c3ccc(C(F)(F)F)c(C(=O)c4cccnc4N)n3)C2)c1
InChIInChI=1S/C24H24F3N5O.C24H23F3N4O.C22H28F2N4O.C22H31N5O.C22H29N5O/c1-15(18-7-4-10-30-23(18)28)22-19(24(25,26)27)8-9-21(31-22)32-12-11-29-20(14-32)16-5-3-6-17(13-16)33-2;1-15-5-2-6-16(13-15)17-7-4-12-31(14-17)20-10-9-19(24(25,26)27)21(30-20)22(32)18-8-3-11-29-23(18)28;1-14(2)11-15-5-4-10-28(13-15)19-8-7-16(12-18(23)24)20(27-19)21(29)17-6-3-9-26-22(17)25;2*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/h3-10,13,20,29H,1,11-12,14H2,2H3,(H2,28,30);2-3,5-6,8-11,13,17H,4,7,12,14H2,1H3,(H2,28,29);3,6-9,14-15,18H,4-5,10-13H2,1-2H3,(H2,25,26);5,7-10,15,17,24H,4,6,11-14H2,1-3H3,(H2,23,25);4-10,15,17,24H,11-14H2,1-3H3,(H2,23,25)/b;;;;6-4-/t;;15-;2*17-/m..000/s1
InChIKeyBPJAWODAVCQADH-PXAIONQWSA-N
XLogP19.87
TPSA388.80 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds29
Heavy Atoms150
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002059.47
LogP ≤ 519.87
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze (2-amino-3-pyridinyl)-[3-(2,2-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone;3-[1-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]ethenyl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[3-(2,2-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone;3-[1-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]ethenyl]pyridin-2-amine?
The IUPAC name of (2-amino-3-pyridinyl)-[3-(2,2-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone;3-[1-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]ethenyl]pyridin-2-amine (CID 157420647) is (2-amino-3-pyridinyl)-[3-(2,2-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone;3-[1-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]ethenyl]pyridin-2-amine.
What is the SMILES notation for (2-amino-3-pyridinyl)-[3-(2,2-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone;3-[1-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]ethenyl]pyridin-2-amine?
The canonical SMILES for (2-amino-3-pyridinyl)-[3-(2,2-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone;3-[1-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]ethenyl]pyridin-2-amine is C/C=C\c1ccc(N2CCN[C@@H](CC(C)C)C2)nc1C(=O)c1cccnc1N.C=C(c1cccnc1N)c1nc(N2CCNC(c3cccc(OC)c3)C2)ccc1C(F)(F)F.CC(C)C[C@@H]1CCCN(c2ccc(CC(F)F)c(C(=O)c3cccnc3N)n2)C1.CCCc1ccc(N2CCN[C@@H](CC(C)C)C2)nc1C(=O)c1cccnc1N.Cc1cccc(C2CCCN(c3ccc(C(F)(F)F)c(C(=O)c4cccnc4N)n3)C2)c1.
What is the InChIKey of (2-amino-3-pyridinyl)-[3-(2,2-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone;3-[1-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]ethenyl]pyridin-2-amine?
The InChIKey is BPJAWODAVCQADH-PXAIONQWSA-N. The full InChI is InChI=1S/C24H24F3N5O.C24H23F3N4O.C22H28F2N4O.C22H31N5O.C22H29N5O/c1-15(18-7-4-10-30-23(18)28)22-19(24(25,26)27)8-9-21(31-22)32-12-11-29-20(14-32)16-5-3-6-17(13-16)33-2;1-15-5-2-6-16(13-15)17-7-4-12-31(14-17)20-10-9-19(24(25,26)27)21(30-20)22(32)18-8-3-11-29-23(18)28;1-14(2)11-15-5-4-10-28(13-15)19-8-7-16(12-18(23)24)20(27-19)21(29)17-6-3-9-26-22(17)25;2*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/h3-10,13,20,29H,1,11-12,14H2,2H3,(H2,28,30);2-3,5-6,8-11,13,17H,4,7,12,14H2,1H3,(H2,28,29);3,6-9,14-15,18H,4-5,10-13H2,1-2H3,(H2,25,26);5,7-10,15,17,24H,4,6,11-14H2,1-3H3,(H2,23,25);4-10,15,17,24H,11-14H2,1-3H3,(H2,23,25)/b;;;;6-4-/t;;15-;2*17-/m..000/s1.
What are the key properties of (2-amino-3-pyridinyl)-[3-(2,2-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone;3-[1-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]ethenyl]pyridin-2-amine?
(2-amino-3-pyridinyl)-[3-(2,2-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone;3-[1-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]ethenyl]pyridin-2-amine has a molecular weight of 2059.47 g/mol, XLogP of 19.87, 29 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[3-(2,2-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone;3-[1-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]ethenyl]pyridin-2-amine is sourced from PubChem (CID 157420647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).