N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-ethylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-[6-(methylamino)-3-pyridinyl]-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-methylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(5-methyl-1H-pyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(1H-pyrazol-5-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide

C117H134F18N30O12 — CID 159721327

IUPACN-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-ethylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-[6-(methylamino)-3-pyridinyl]-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-methylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(5-methyl-1H-pyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(1H-pyrazol-5-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
SMILESCCn1nccc1NC(=O)N1CCN(C2CCOc3cc(C(F)(F)F)ccc32)CC1.CNc1ccc(NC(=O)N2CCN(C3CCOc4cc(C(F)(F)F)ccc43)CC2)cn1.Cc1cc(NC(=O)N2CCN(C3CCOc4cc(C(F)(F)F)ccc43)CC2)n[nH]1.Cn1nccc1NC(=O)N1CCN(C2CCOc3cc(C(F)(F)F)ccc32)CC1.Nc1ccc(NC(=O)N2CCN(C3CCOc4cc(C(F)(F)F)ccc43)CC2)nc1.O=C(Nc1ccn[nH]1)N1CCN(C2CCOc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C21H24F3N5O2.C20H22F3N5O2.C20H24F3N5O2.2C19H22F3N5O2.C18H20F3N5O2/c1-25-19-5-3-15(13-26-19)27-20(30)29-9-7-28(8-10-29)17-6-11-31-18-12-14(21(22,23)24)2-4-16(17)18;21-20(22,23)13-1-3-15-16(5-10-30-17(15)11-13)27-6-8-28(9-7-27)19(29)26-18-4-2-14(24)12-25-18;1-2-28-18(5-7-24-28)25-19(29)27-10-8-26(9-11-27)16-6-12-30-17-13-14(20(21,22)23)3-4-15(16)17;1-12-10-17(25-24-12)23-18(28)27-7-5-26(6-8-27)15-4-9-29-16-11-13(19(20,21)22)2-3-14(15)16;1-25-17(4-6-23-25)24-18(28)27-9-7-26(8-10-27)15-5-11-29-16-12-13(19(20,21)22)2-3-14(15)16;19-18(20,21)12-1-2-13-14(4-10-28-15(13)11-12)25-6-8-26(9-7-25)17(27)23-16-3-5-22-24-16/h2-5,12-13,17H,6-11H2,1H3,(H,25,26)(H,27,30);1-4,11-12,16H,5-10,24H2,(H,25,26,29);3-5,7,13,16H,2,6,8-12H2,1H3,(H,25,29);2-3,10-11,15H,4-9H2,1H3,(H2,23,24,25,28);2-4,6,12,15H,5,7-11H2,1H3,(H,24,28);1-3,5,11,14H,4,6-10H2,(H2,22,23,24,27)
InChIKeyNABNOXAKTGPWJA-UHFFFAOYSA-N
MW2494.52 g/mol
LogP20.39
Rot. Bonds14

About N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-ethylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-[6-(methylamino)-3-pyridinyl]-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-methylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(5-methyl-1H-pyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(1H-pyrazol-5-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide

N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-ethylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-[6-(methylamino)-3-pyridinyl]-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-methylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(5-methyl-1H-pyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(1H-pyrazol-5-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide (PubChem CID 159721327) has the molecular formula C117H134F18N30O12 and a molecular weight of 2494.52 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-ethylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-[6-(methylamino)-3-pyridinyl]-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-methylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(5-methyl-1H-pyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(1H-pyrazol-5-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-ethylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-[6-(methylamino)-3-pyridinyl]-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-methylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(5-methyl-1H-pyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(1H-pyrazol-5-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
PubChem CID159721327
Molecular FormulaC117H134F18N30O12
Molecular Weight2494.52 g/mol
Exact Mass2493.05
IUPAC NameN-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-ethylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-[6-(methylamino)-3-pyridinyl]-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-methylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(5-methyl-1H-pyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(1H-pyrazol-5-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
SMILESCCn1nccc1NC(=O)N1CCN(C2CCOc3cc(C(F)(F)F)ccc32)CC1.CNc1ccc(NC(=O)N2CCN(C3CCOc4cc(C(F)(F)F)ccc43)CC2)cn1.Cc1cc(NC(=O)N2CCN(C3CCOc4cc(C(F)(F)F)ccc43)CC2)n[nH]1.Cn1nccc1NC(=O)N1CCN(C2CCOc3cc(C(F)(F)F)ccc32)CC1.Nc1ccc(NC(=O)N2CCN(C3CCOc4cc(C(F)(F)F)ccc43)CC2)nc1.O=C(Nc1ccn[nH]1)N1CCN(C2CCOc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C21H24F3N5O2.C20H22F3N5O2.C20H24F3N5O2.2C19H22F3N5O2.C18H20F3N5O2/c1-25-19-5-3-15(13-26-19)27-20(30)29-9-7-28(8-10-29)17-6-11-31-18-12-14(21(22,23)24)2-4-16(17)18;21-20(22,23)13-1-3-15-16(5-10-30-17(15)11-13)27-6-8-28(9-7-27)19(29)26-18-4-2-14(24)12-25-18;1-2-28-18(5-7-24-28)25-19(29)27-10-8-26(9-11-27)16-6-12-30-17-13-14(20(21,22)23)3-4-15(16)17;1-12-10-17(25-24-12)23-18(28)27-7-5-26(6-8-27)15-4-9-29-16-11-13(19(20,21)22)2-3-14(15)16;1-25-17(4-6-23-25)24-18(28)27-9-7-26(8-10-27)15-5-11-29-16-12-13(19(20,21)22)2-3-14(15)16;19-18(20,21)12-1-2-13-14(4-10-28-15(13)11-12)25-6-8-26(9-7-25)17(27)23-16-3-5-22-24-16/h2-5,12-13,17H,6-11H2,1H3,(H,25,26)(H,27,30);1-4,11-12,16H,5-10,24H2,(H,25,26,29);3-5,7,13,16H,2,6,8-12H2,1H3,(H,25,29);2-3,10-11,15H,4-9H2,1H3,(H2,23,24,25,28);2-4,6,12,15H,5,7-11H2,1H3,(H,24,28);1-3,5,11,14H,4,6-10H2,(H2,22,23,24,27)
InChIKeyNABNOXAKTGPWJA-UHFFFAOYSA-N
XLogP20.39
TPSA425.69 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds14
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002494.52
LogP ≤ 520.39
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Analyze N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-ethylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-[6-(methylamino)-3-pyridinyl]-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-methylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(5-methyl-1H-pyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(1H-pyrazol-5-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[3-[2-[[1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-6-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-4-yl]-4-methylpiperazin-1-yl]-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methyl-1-[[4-[[5-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]pyrimidin-2-yl]amino]pyrazol-1-yl]methyl]pyrimidin-1-ium-2-yl]amino]pyrazol-1-yl]ethanone
CID 123374972
4-(3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-[8-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide;N-(6-methyl-3-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;3-oxo-N-phenyl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-phenyl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-pyridin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
CID 158315594
3-butoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-[3-(dimethylcarbamoyl)phenyl]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(2-phenylethoxy)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;4-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-propoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-[[4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]benzamide
CID 158575830
2-(2,4-difluorophenyl)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyridine;2-(2-ethoxy-4-fluorophenyl)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyridine;2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyridine;2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)pyridine;1-(5-methyl-1H-pyrazol-3-yl)-3-phenylisoquinoline;5-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-2-(trifluoromethyl)pyrimidine;2-(5-methyl-1H-pyrazol-3-yl)-6-[4-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
CID 158601779
4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-(1H-pyrazol-5-ylmethoxy)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoline-2,4-diamine;4-N-(pyridin-2-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
CID 158860377
CID 159096803
CID 159096803
1-(2,4-difluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[(2-ethoxyphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;2-fluoro-5-[[methyl-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;1-(4-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-methyl-N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 159861894
2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(pyrimidin-5-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone
CID 160770883
4-(7-cyano-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide;(3R)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;(3S)-3-methyl-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-pyridazin-3-yl-4-[8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
CID 160925647
[6-[6-[(4,4-difluorocyclohexyl)amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2-fluorophenyl)butyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2-fluorophenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(3S)-3-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-3-(4-methylphenyl)propan-1-ol;methane;[6-[6-[[(1S)-1-(2-methoxy-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 160982818
N-[4-[3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide;1-[4-[2-[6-(3-ethoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;3-[4-[4-ethyl-2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[4-[2-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(6-phenylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 161804999
dimethyl-[[6-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;dimethyl-[[6-[1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methyl]azanium;ethane;5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide;N-methyl-1-[6-[1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methanamine oxide
CID 161985232

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-ethylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-[6-(methylamino)-3-pyridinyl]-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-methylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(5-methyl-1H-pyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(1H-pyrazol-5-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-ethylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-[6-(methylamino)-3-pyridinyl]-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-methylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(5-methyl-1H-pyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(1H-pyrazol-5-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide (CID 159721327) is N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-ethylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-[6-(methylamino)-3-pyridinyl]-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-methylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(5-methyl-1H-pyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(1H-pyrazol-5-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-ethylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-[6-(methylamino)-3-pyridinyl]-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-methylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(5-methyl-1H-pyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(1H-pyrazol-5-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-ethylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-[6-(methylamino)-3-pyridinyl]-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-methylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(5-methyl-1H-pyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(1H-pyrazol-5-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide is CCn1nccc1NC(=O)N1CCN(C2CCOc3cc(C(F)(F)F)ccc32)CC1.CNc1ccc(NC(=O)N2CCN(C3CCOc4cc(C(F)(F)F)ccc43)CC2)cn1.Cc1cc(NC(=O)N2CCN(C3CCOc4cc(C(F)(F)F)ccc43)CC2)n[nH]1.Cn1nccc1NC(=O)N1CCN(C2CCOc3cc(C(F)(F)F)ccc32)CC1.Nc1ccc(NC(=O)N2CCN(C3CCOc4cc(C(F)(F)F)ccc43)CC2)nc1.O=C(Nc1ccn[nH]1)N1CCN(C2CCOc3cc(C(F)(F)F)ccc32)CC1.
What is the InChIKey of N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-ethylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-[6-(methylamino)-3-pyridinyl]-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-methylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(5-methyl-1H-pyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(1H-pyrazol-5-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide?
The InChIKey is NABNOXAKTGPWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O2.C20H22F3N5O2.C20H24F3N5O2.2C19H22F3N5O2.C18H20F3N5O2/c1-25-19-5-3-15(13-26-19)27-20(30)29-9-7-28(8-10-29)17-6-11-31-18-12-14(21(22,23)24)2-4-16(17)18;21-20(22,23)13-1-3-15-16(5-10-30-17(15)11-13)27-6-8-28(9-7-27)19(29)26-18-4-2-14(24)12-25-18;1-2-28-18(5-7-24-28)25-19(29)27-10-8-26(9-11-27)16-6-12-30-17-13-14(20(21,22)23)3-4-15(16)17;1-12-10-17(25-24-12)23-18(28)27-7-5-26(6-8-27)15-4-9-29-16-11-13(19(20,21)22)2-3-14(15)16;1-25-17(4-6-23-25)24-18(28)27-9-7-26(8-10-27)15-5-11-29-16-12-13(19(20,21)22)2-3-14(15)16;19-18(20,21)12-1-2-13-14(4-10-28-15(13)11-12)25-6-8-26(9-7-25)17(27)23-16-3-5-22-24-16/h2-5,12-13,17H,6-11H2,1H3,(H,25,26)(H,27,30);1-4,11-12,16H,5-10,24H2,(H,25,26,29);3-5,7,13,16H,2,6,8-12H2,1H3,(H,25,29);2-3,10-11,15H,4-9H2,1H3,(H2,23,24,25,28);2-4,6,12,15H,5,7-11H2,1H3,(H,24,28);1-3,5,11,14H,4,6-10H2,(H2,22,23,24,27).
What are the key properties of N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-ethylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-[6-(methylamino)-3-pyridinyl]-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-methylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(5-methyl-1H-pyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(1H-pyrazol-5-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide?
N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-ethylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-[6-(methylamino)-3-pyridinyl]-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-methylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(5-methyl-1H-pyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(1H-pyrazol-5-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide has a molecular weight of 2494.52 g/mol, XLogP of 20.39, 14 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-ethylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-[6-(methylamino)-3-pyridinyl]-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(2-methylpyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(5-methyl-1H-pyrazol-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-(1H-pyrazol-5-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 159721327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).