7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;7-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)thiomorpholin-4-yl]methyl]quinoline-2-carboxamide

C126H132F12N28O9S — CID 158417586

IUPAC7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;7-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)thiomorpholin-4-yl]methyl]quinoline-2-carboxamide
SMILESC[C@@H]1CN(Cc2ccc3c(-c4cnn(C(F)F)c4)cc(C(N)=O)nc3c2)C[C@H](C(F)(F)F)O1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCCC5(CC5)C4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC[C@@H](O)C4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC[C@H](O)C4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCSC(C(F)(F)F)C4)ccc23)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC(C(F)(F)F)C3)cc2n1
InChIInChI=1S/C23H21F4N3O.C22H25N5O.C21H20F5N5O2.C20H20F3N5OS.2C20H23N5O2/c24-17-6-4-15(5-7-17)19-11-21(22(28)31)29-20-10-14(3-8-18(19)20)12-30-9-1-2-16(13-30)23(25,26)27;1-26-13-16(11-24-26)18-10-20(21(23)28)25-19-9-15(3-4-17(18)19)12-27-8-2-5-22(14-27)6-7-22;1-11-7-30(10-18(33-11)21(24,25)26)8-12-2-3-14-15(13-6-28-31(9-13)20(22)23)5-17(19(27)32)29-16(14)4-12;1-27-10-13(8-25-27)15-7-17(19(24)29)26-16-6-12(2-3-14(15)16)9-28-4-5-30-18(11-28)20(21,22)23;2*1-24-11-14(9-22-24)17-8-19(20(21)27)23-18-7-13(4-5-16(17)18)10-25-6-2-3-15(26)12-25/h3-8,10-11,16H,1-2,9,12-13H2,(H2,28,31);3-4,9-11,13H,2,5-8,12,14H2,1H3,(H2,23,28);2-6,9,11,18,20H,7-8,10H2,1H3,(H2,27,32);2-3,6-8,10,18H,4-5,9,11H2,1H3,(H2,24,29);2*4-5,7-9,11,15,26H,2-3,6,10,12H2,1H3,(H2,21,27)/t;;11-,18-;;2*15-/m..1.10/s1
InChIKeyHABXNVRSZVVGLQ-RAKWGMPYSA-N
MW2442.67 g/mol
LogP18.36
Rot. Bonds25

About 7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;7-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)thiomorpholin-4-yl]methyl]quinoline-2-carboxamide

7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;7-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)thiomorpholin-4-yl]methyl]quinoline-2-carboxamide (PubChem CID 158417586) has the molecular formula C126H132F12N28O9S and a molecular weight of 2442.67 g/mol. Its IUPAC name is 7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;7-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)thiomorpholin-4-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;7-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)thiomorpholin-4-yl]methyl]quinoline-2-carboxamide
PubChem CID158417586
Molecular FormulaC126H132F12N28O9S
Molecular Weight2442.67 g/mol
Exact Mass2441.03
IUPAC Name7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;7-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)thiomorpholin-4-yl]methyl]quinoline-2-carboxamide
SMILESC[C@@H]1CN(Cc2ccc3c(-c4cnn(C(F)F)c4)cc(C(N)=O)nc3c2)C[C@H](C(F)(F)F)O1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCCC5(CC5)C4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC[C@@H](O)C4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC[C@H](O)C4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCSC(C(F)(F)F)C4)ccc23)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC(C(F)(F)F)C3)cc2n1
InChIInChI=1S/C23H21F4N3O.C22H25N5O.C21H20F5N5O2.C20H20F3N5OS.2C20H23N5O2/c24-17-6-4-15(5-7-17)19-11-21(22(28)31)29-20-10-14(3-8-18(19)20)12-30-9-1-2-16(13-30)23(25,26)27;1-26-13-16(11-24-26)18-10-20(21(23)28)25-19-9-15(3-4-17(18)19)12-27-8-2-5-22(14-27)6-7-22;1-11-7-30(10-18(33-11)21(24,25)26)8-12-2-3-14-15(13-6-28-31(9-13)20(22)23)5-17(19(27)32)29-16(14)4-12;1-27-10-13(8-25-27)15-7-17(19(24)29)26-16-6-12(2-3-14(15)16)9-28-4-5-30-18(11-28)20(21,22)23;2*1-24-11-14(9-22-24)17-8-19(20(21)27)23-18-7-13(4-5-16(17)18)10-25-6-2-3-15(26)12-25/h3-8,10-11,16H,1-2,9,12-13H2,(H2,28,31);3-4,9-11,13H,2,5-8,12,14H2,1H3,(H2,23,28);2-6,9,11,18,20H,7-8,10H2,1H3,(H2,27,32);2-3,6-8,10,18H,4-5,9,11H2,1H3,(H2,24,29);2*4-5,7-9,11,15,26H,2-3,6,10,12H2,1H3,(H2,21,27)/t;;11-,18-;;2*15-/m..1.10/s1
InChIKeyHABXNVRSZVVGLQ-RAKWGMPYSA-N
XLogP18.36
TPSA494.11 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds25
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002442.67
LogP ≤ 518.36
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze 7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;7-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)thiomorpholin-4-yl]methyl]quinoline-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;7-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)thiomorpholin-4-yl]methyl]quinoline-2-carboxamide?
The IUPAC name of 7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;7-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)thiomorpholin-4-yl]methyl]quinoline-2-carboxamide (CID 158417586) is 7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;7-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)thiomorpholin-4-yl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for 7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;7-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)thiomorpholin-4-yl]methyl]quinoline-2-carboxamide?
The canonical SMILES for 7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;7-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)thiomorpholin-4-yl]methyl]quinoline-2-carboxamide is C[C@@H]1CN(Cc2ccc3c(-c4cnn(C(F)F)c4)cc(C(N)=O)nc3c2)C[C@H](C(F)(F)F)O1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCCC5(CC5)C4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC[C@@H](O)C4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC[C@H](O)C4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCSC(C(F)(F)F)C4)ccc23)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC(C(F)(F)F)C3)cc2n1.
What is the InChIKey of 7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;7-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)thiomorpholin-4-yl]methyl]quinoline-2-carboxamide?
The InChIKey is HABXNVRSZVVGLQ-RAKWGMPYSA-N. The full InChI is InChI=1S/C23H21F4N3O.C22H25N5O.C21H20F5N5O2.C20H20F3N5OS.2C20H23N5O2/c24-17-6-4-15(5-7-17)19-11-21(22(28)31)29-20-10-14(3-8-18(19)20)12-30-9-1-2-16(13-30)23(25,26)27;1-26-13-16(11-24-26)18-10-20(21(23)28)25-19-9-15(3-4-17(18)19)12-27-8-2-5-22(14-27)6-7-22;1-11-7-30(10-18(33-11)21(24,25)26)8-12-2-3-14-15(13-6-28-31(9-13)20(22)23)5-17(19(27)32)29-16(14)4-12;1-27-10-13(8-25-27)15-7-17(19(24)29)26-16-6-12(2-3-14(15)16)9-28-4-5-30-18(11-28)20(21,22)23;2*1-24-11-14(9-22-24)17-8-19(20(21)27)23-18-7-13(4-5-16(17)18)10-25-6-2-3-15(26)12-25/h3-8,10-11,16H,1-2,9,12-13H2,(H2,28,31);3-4,9-11,13H,2,5-8,12,14H2,1H3,(H2,23,28);2-6,9,11,18,20H,7-8,10H2,1H3,(H2,27,32);2-3,6-8,10,18H,4-5,9,11H2,1H3,(H2,24,29);2*4-5,7-9,11,15,26H,2-3,6,10,12H2,1H3,(H2,21,27)/t;;11-,18-;;2*15-/m..1.10/s1.
What are the key properties of 7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;7-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)thiomorpholin-4-yl]methyl]quinoline-2-carboxamide?
7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;7-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)thiomorpholin-4-yl]methyl]quinoline-2-carboxamide has a molecular weight of 2442.67 g/mol, XLogP of 18.36, 25 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;7-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)thiomorpholin-4-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 158417586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).