N-(cyclopentylmethyl)-8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxamide;(4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;morpholin-4-yl-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C86H91F12N21O4 — CID 165017025

IUPACN-(cyclopentylmethyl)-8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxamide;(4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;morpholin-4-yl-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESC=C(C)N1CC=C(c2cc3c(N[C@H](C)c4cccc(C(F)(F)F)c4)ncnn3c2)CC1.C[C@@H](Nc1nccn2cc(C(=O)N3CCN(C)CC3)nc12)c1cccc(C(F)(F)F)c1.C[C@@H](Nc1nccn2cc(C(=O)N3CCOCC3)nc12)c1cccc(C(F)(F)F)c1.C[C@@H](Nc1nccn2cc(C(=O)NCC3CCCC3)nc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H24F3N5.C22H24F3N5O.C21H23F3N6O.C20H20F3N5O2/c1-15(2)30-9-7-17(8-10-30)19-12-21-22(27-14-28-31(21)13-19)29-16(3)18-5-4-6-20(11-18)23(24,25)26;1-14(16-7-4-8-17(11-16)22(23,24)25)28-19-20-29-18(13-30(20)10-9-26-19)21(31)27-12-15-5-2-3-6-15;1-14(15-4-3-5-16(12-15)21(22,23)24)26-18-19-27-17(13-30(19)7-6-25-18)20(31)29-10-8-28(2)9-11-29;1-13(14-3-2-4-15(11-14)20(21,22)23)25-17-18-26-16(12-28(18)6-5-24-17)19(29)27-7-9-30-10-8-27/h4-7,11-14,16H,1,8-10H2,2-3H3,(H,27,28,29);4,7-11,13-15H,2-3,5-6,12H2,1H3,(H,26,28)(H,27,31);3-7,12-14H,8-11H2,1-2H3,(H,25,26);2-6,11-13H,7-10H2,1H3,(H,24,25)/t16-;2*14-;13-/m1111/s1
InChIKeyKOTXNTIPKJJHGN-UWESEKNSSA-N
MW1710.79 g/mol
LogP17.09
Rot. Bonds19

About N-(cyclopentylmethyl)-8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxamide;(4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;morpholin-4-yl-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(cyclopentylmethyl)-8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxamide;(4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;morpholin-4-yl-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 165017025) has the molecular formula C86H91F12N21O4 and a molecular weight of 1710.79 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxamide;(4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;morpholin-4-yl-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxamide;(4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;morpholin-4-yl-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID165017025
Molecular FormulaC86H91F12N21O4
Molecular Weight1710.79 g/mol
Exact Mass1709.74
IUPAC NameN-(cyclopentylmethyl)-8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxamide;(4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;morpholin-4-yl-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESC=C(C)N1CC=C(c2cc3c(N[C@H](C)c4cccc(C(F)(F)F)c4)ncnn3c2)CC1.C[C@@H](Nc1nccn2cc(C(=O)N3CCN(C)CC3)nc12)c1cccc(C(F)(F)F)c1.C[C@@H](Nc1nccn2cc(C(=O)N3CCOCC3)nc12)c1cccc(C(F)(F)F)c1.C[C@@H](Nc1nccn2cc(C(=O)NCC3CCCC3)nc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H24F3N5.C22H24F3N5O.C21H23F3N6O.C20H20F3N5O2/c1-15(2)30-9-7-17(8-10-30)19-12-21-22(27-14-28-31(21)13-19)29-16(3)18-5-4-6-20(11-18)23(24,25)26;1-14(16-7-4-8-17(11-16)22(23,24)25)28-19-20-29-18(13-30(20)10-9-26-19)21(31)27-12-15-5-2-3-6-15;1-14(15-4-3-5-16(12-15)21(22,23)24)26-18-19-27-17(13-30(19)7-6-25-18)20(31)29-10-8-28(2)9-11-29;1-13(14-3-2-4-15(11-14)20(21,22)23)25-17-18-26-16(12-28(18)6-5-24-17)19(29)27-7-9-30-10-8-27/h4-7,11-14,16H,1,8-10H2,2-3H3,(H,27,28,29);4,7-11,13-15H,2-3,5-6,12H2,1H3,(H,26,28)(H,27,31);3-7,12-14H,8-11H2,1-2H3,(H,25,26);2-6,11-13H,7-10H2,1H3,(H,24,25)/t16-;2*14-;13-/m1111/s1
InChIKeyKOTXNTIPKJJHGN-UWESEKNSSA-N
XLogP17.09
TPSA254.31 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001710.79
LogP ≤ 517.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze N-(cyclopentylmethyl)-8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxamide;(4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;morpholin-4-yl-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Related Compounds

N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-trifluoropropanoyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-2-morpholinoisonicotinamide
CID 90246037
2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1-(2-morpholinoacetyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)isonicotinamide
CID 118538744
N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-trifluoropropyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-2-morpholinoisonicotinamide
CID 118538923
N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 154605216
US20240368194, Example 62
CID 167440018
US20240368194, Example 54
CID 172494512
(2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]amino]-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 117750932
8-methyl-N-[4-[[3-[[6-(morpholin-4-ylmethyl)pyridin-2-yl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-8-yl]methyl]pyridin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 123170184
2-(2-fluorophenyl)-5-[4-[6-[[2-(3-methylphenyl)imidazo[1,2-b]pyridazine-8-carbonyl]amino]-2-pyridinyl]morpholin-2-yl]-N-(6-morpholin-4-yl-2-pyridinyl)imidazo[1,2-b]pyridazin-5-ium-8-carboxamide
CID 123216742
1-[6-methyl-2-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]pyrimidin-4-yl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123415167
N-[6-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridinyl]-8-[3-fluoro-1-[[6-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-2-pyridinyl]methyl]pyrrolidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 123737199
N-[4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-6-methyl-2-pyridinyl]-6-(3-fluoropyrrolidin-1-yl)-1-[2-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123839257

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxamide;(4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;morpholin-4-yl-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(cyclopentylmethyl)-8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxamide;(4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;morpholin-4-yl-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 165017025) is N-(cyclopentylmethyl)-8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxamide;(4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;morpholin-4-yl-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxamide;(4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;morpholin-4-yl-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(cyclopentylmethyl)-8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxamide;(4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;morpholin-4-yl-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is C=C(C)N1CC=C(c2cc3c(N[C@H](C)c4cccc(C(F)(F)F)c4)ncnn3c2)CC1.C[C@@H](Nc1nccn2cc(C(=O)N3CCN(C)CC3)nc12)c1cccc(C(F)(F)F)c1.C[C@@H](Nc1nccn2cc(C(=O)N3CCOCC3)nc12)c1cccc(C(F)(F)F)c1.C[C@@H](Nc1nccn2cc(C(=O)NCC3CCCC3)nc12)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(cyclopentylmethyl)-8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxamide;(4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;morpholin-4-yl-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is KOTXNTIPKJJHGN-UWESEKNSSA-N. The full InChI is InChI=1S/C23H24F3N5.C22H24F3N5O.C21H23F3N6O.C20H20F3N5O2/c1-15(2)30-9-7-17(8-10-30)19-12-21-22(27-14-28-31(21)13-19)29-16(3)18-5-4-6-20(11-18)23(24,25)26;1-14(16-7-4-8-17(11-16)22(23,24)25)28-19-20-29-18(13-30(20)10-9-26-19)21(31)27-12-15-5-2-3-6-15;1-14(15-4-3-5-16(12-15)21(22,23)24)26-18-19-27-17(13-30(19)7-6-25-18)20(31)29-10-8-28(2)9-11-29;1-13(14-3-2-4-15(11-14)20(21,22)23)25-17-18-26-16(12-28(18)6-5-24-17)19(29)27-7-9-30-10-8-27/h4-7,11-14,16H,1,8-10H2,2-3H3,(H,27,28,29);4,7-11,13-15H,2-3,5-6,12H2,1H3,(H,26,28)(H,27,31);3-7,12-14H,8-11H2,1-2H3,(H,25,26);2-6,11-13H,7-10H2,1H3,(H,24,25)/t16-;2*14-;13-/m1111/s1.
What are the key properties of N-(cyclopentylmethyl)-8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxamide;(4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;morpholin-4-yl-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(cyclopentylmethyl)-8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxamide;(4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;morpholin-4-yl-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 1710.79 g/mol, XLogP of 17.09, 19 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxamide;(4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;morpholin-4-yl-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone;6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 165017025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).