About N-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluoro-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
N-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluoro-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 159862219) has the molecular formula C86H95F12N17O5
and a molecular weight of 1674.80 g/mol. Its IUPAC name is N-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluoro-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.
Frequently Asked Questions
What is the IUPAC name of N-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluoro-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluoro-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 159862219) is N-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluoro-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluoro-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluoro-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is C=C1C=C(C(F)(F)F)C(C(=O)Nc2cc(-c3ccc(OCC4CC4)nc3)c(F)cc2N2C[C@@H](C)N(C)[C@@H](C)C2)=CN1.C=C1C=C(C(F)(F)F)C(C(=O)Nc2cc(-c3cccc(CN4CCOCC4)c3)c(F)cc2N2CCC(N(C)C)C2)=CN1.C=C1C=C(C(F)(F)F)C(C(=O)Nc2cc(-c3cnc(N(C)C)nc3)c(F)cc2N2CCN(C)CC2)=CN1.
What is the InChIKey of N-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluoro-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is NRHGHFZLYDNETB-JMTUUTQESA-N. The full InChI is InChI=1S/C31H35F4N5O2.C30H33F4N5O2.C25H27F4N7O/c1-20-13-26(31(33,34)35)25(17-36-20)30(41)37-28-15-24(27(32)16-29(28)40-8-7-23(19-40)38(2)3)22-6-4-5-21(14-22)18-39-9-11-42-12-10-39;1-17-9-24(30(32,33)34)23(13-35-17)29(40)37-26-10-22(21-7-8-28(36-12-21)41-16-20-5-6-20)25(31)11-27(26)39-14-18(2)38(4)19(3)15-39;1-15-9-19(25(27,28)29)18(14-30-15)23(37)33-21-10-17(16-12-31-24(32-13-16)34(2)3)20(26)11-22(21)36-7-5-35(4)6-8-36/h4-6,13-17,23,36H,1,7-12,18-19H2,2-3H3,(H,37,41);7-13,18-20,35H,1,5-6,14-16H2,2-4H3,(H,37,40);9-14,30H,1,5-8H2,2-4H3,(H,33,37)/t;18-,19+;.
What are the key properties of N-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluoro-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluoro-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 1674.80 g/mol, XLogP of 14.06, 19 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-fluoro-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 159862219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).