1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(cyclohexylamino)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone

C193H228N40O12 — CID 158632496

IUPAC1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(cyclohexylamino)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
SMILESCC(C)N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CN5CCOCC5)ccc4cn3)ccn2)CC1.CN1CCC(N(C)c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CN5CCOCC5)ccc4cn3)ccn2)CC1.CN1CCC2(CC1)CN(c1cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CN5CCOCC5)ccc4cn3)ccn1)C2.Cn1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CC6(CCCCC6)C5)c4)cc3c2)c1CN1CCOCC1.Cn1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C6CC6)CC5)c4)cc3c2)c1CN1CCOCC1.Cn1ncc(-c2ccc3cnc(CC(=O)c4ccnc(NC5CCCCC5)c4)cc3c2)c1CN1CCOCC1
InChIInChI=1S/C33H39N7O2.C33H38N6O2.C32H37N7O2.2C32H39N7O2.C31H36N6O2/c1-37-9-6-33(7-10-37)22-40(23-33)32-17-25(5-8-34-32)31(41)18-28-16-27-15-24(3-4-26(27)19-35-28)29-20-36-38(2)30(29)21-39-11-13-42-14-12-39;1-37-30(21-38-11-13-41-14-12-38)29(20-36-37)24-5-6-26-19-35-28(16-27(26)15-24)18-31(40)25-7-10-34-32(17-25)39-22-33(23-39)8-3-2-4-9-33;1-36-30(22-37-12-14-41-15-13-37)29(21-35-36)23-2-3-25-20-34-27(17-26(25)16-23)19-31(40)24-6-7-33-32(18-24)39-10-8-38(9-11-39)28-4-5-28;1-36-10-7-28(8-11-36)37(2)32-18-24(6-9-33-32)31(40)19-27-17-26-16-23(4-5-25(26)20-34-27)29-21-35-38(3)30(29)22-39-12-14-41-15-13-39;1-23(2)38-8-10-39(11-9-38)32-18-25(6-7-33-32)31(40)19-28-17-27-16-24(4-5-26(27)20-34-28)29-21-35-36(3)30(29)22-37-12-14-41-15-13-37;1-36-29(21-37-11-13-39-14-12-37)28(20-34-36)22-7-8-24-19-33-27(16-25(24)15-22)18-30(38)23-9-10-32-31(17-23)35-26-5-3-2-4-6-26/h3-5,8,15-17,19-20H,6-7,9-14,18,21-23H2,1-2H3;5-7,10,15-17,19-20H,2-4,8-9,11-14,18,21-23H2,1H3;2-3,6-7,16-18,20-21,28H,4-5,8-15,19,22H2,1H3;4-6,9,16-18,20-21,28H,7-8,10-15,19,22H2,1-3H3;4-7,16-18,20-21,23H,8-15,19,22H2,1-3H3;7-10,15-17,19-20,26H,2-6,11-14,18,21H2,1H3,(H,32,35)
InChIKeyHZJHOKMAPDJIOJ-UHFFFAOYSA-N
MW3300.21 g/mol
LogP25.12
Rot. Bonds46

About 1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(cyclohexylamino)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone

1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(cyclohexylamino)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone (PubChem CID 158632496) has the molecular formula C193H228N40O12 and a molecular weight of 3300.21 g/mol. Its IUPAC name is 1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(cyclohexylamino)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(cyclohexylamino)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
PubChem CID158632496
Molecular FormulaC193H228N40O12
Molecular Weight3300.21 g/mol
Exact Mass3297.85
IUPAC Name1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(cyclohexylamino)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
SMILESCC(C)N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CN5CCOCC5)ccc4cn3)ccn2)CC1.CN1CCC(N(C)c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CN5CCOCC5)ccc4cn3)ccn2)CC1.CN1CCC2(CC1)CN(c1cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CN5CCOCC5)ccc4cn3)ccn1)C2.Cn1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CC6(CCCCC6)C5)c4)cc3c2)c1CN1CCOCC1.Cn1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C6CC6)CC5)c4)cc3c2)c1CN1CCOCC1.Cn1ncc(-c2ccc3cnc(CC(=O)c4ccnc(NC5CCCCC5)c4)cc3c2)c1CN1CCOCC1
InChIInChI=1S/C33H39N7O2.C33H38N6O2.C32H37N7O2.2C32H39N7O2.C31H36N6O2/c1-37-9-6-33(7-10-37)22-40(23-33)32-17-25(5-8-34-32)31(41)18-28-16-27-15-24(3-4-26(27)19-35-28)29-20-36-38(2)30(29)21-39-11-13-42-14-12-39;1-37-30(21-38-11-13-41-14-12-38)29(20-36-37)24-5-6-26-19-35-28(16-27(26)15-24)18-31(40)25-7-10-34-32(17-25)39-22-33(23-39)8-3-2-4-9-33;1-36-30(22-37-12-14-41-15-13-37)29(21-35-36)23-2-3-25-20-34-27(17-26(25)16-23)19-31(40)24-6-7-33-32(18-24)39-10-8-38(9-11-39)28-4-5-28;1-36-10-7-28(8-11-36)37(2)32-18-24(6-9-33-32)31(40)19-27-17-26-16-23(4-5-25(26)20-34-27)29-21-35-38(3)30(29)22-39-12-14-41-15-13-39;1-23(2)38-8-10-39(11-9-38)32-18-25(6-7-33-32)31(40)19-28-17-27-16-24(4-5-26(27)20-34-28)29-21-35-36(3)30(29)22-37-12-14-41-15-13-37;1-36-29(21-37-11-13-39-14-12-37)28(20-34-36)22-7-8-24-19-33-27(16-25(24)15-22)18-30(38)23-9-10-32-31(17-23)35-26-5-3-2-4-6-26/h3-5,8,15-17,19-20H,6-7,9-14,18,21-23H2,1-2H3;5-7,10,15-17,19-20H,2-4,8-9,11-14,18,21-23H2,1H3;2-3,6-7,16-18,20-21,28H,4-5,8-15,19,22H2,1H3;4-6,9,16-18,20-21,28H,7-8,10-15,19,22H2,1-3H3;4-7,16-18,20-21,23H,8-15,19,22H2,1-3H3;7-10,15-17,19-20,26H,2-6,11-14,18,21H2,1H3,(H,32,35)
InChIKeyHZJHOKMAPDJIOJ-UHFFFAOYSA-N
XLogP25.12
TPSA480.03 Ų
H-Bond Donors1
H-Bond Acceptors52
Rotatable Bonds46
Heavy Atoms245
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003300.21
LogP ≤ 525.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1052

Analyze 1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(cyclohexylamino)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(cyclopropylmethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(methylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one
CID 160503377
(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(cyclopropylmethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one;(4S)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(methylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one
CID 160703143
N-cyclopropyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;N,N-dimethyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;4-[4-(4-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 135313257
1-[2-(3-Aminoazetidin-1-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 147068413
1-[2-[Methyl-(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 147429809
1-[2-(2,7-Diazaspiro[3.5]nonan-7-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 147851965
2-[6-[1-Methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 148053609
2-[6-[1-Methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[2-(piperidin-4-ylamino)-4-pyridinyl]ethanone
CID 148075857
1-[2-(7-Methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 148836695
1-[2-[4-(Dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 149031495
1-[2-(4-Cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 153019784
1-[2-[2-(Dimethylamino)ethylamino]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 153041924

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(cyclohexylamino)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone?
The IUPAC name of 1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(cyclohexylamino)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone (CID 158632496) is 1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(cyclohexylamino)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(cyclohexylamino)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone?
The canonical SMILES for 1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(cyclohexylamino)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone is CC(C)N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CN5CCOCC5)ccc4cn3)ccn2)CC1.CN1CCC(N(C)c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CN5CCOCC5)ccc4cn3)ccn2)CC1.CN1CCC2(CC1)CN(c1cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CN5CCOCC5)ccc4cn3)ccn1)C2.Cn1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CC6(CCCCC6)C5)c4)cc3c2)c1CN1CCOCC1.Cn1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C6CC6)CC5)c4)cc3c2)c1CN1CCOCC1.Cn1ncc(-c2ccc3cnc(CC(=O)c4ccnc(NC5CCCCC5)c4)cc3c2)c1CN1CCOCC1.
What is the InChIKey of 1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(cyclohexylamino)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone?
The InChIKey is HZJHOKMAPDJIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N7O2.C33H38N6O2.C32H37N7O2.2C32H39N7O2.C31H36N6O2/c1-37-9-6-33(7-10-37)22-40(23-33)32-17-25(5-8-34-32)31(41)18-28-16-27-15-24(3-4-26(27)19-35-28)29-20-36-38(2)30(29)21-39-11-13-42-14-12-39;1-37-30(21-38-11-13-41-14-12-38)29(20-36-37)24-5-6-26-19-35-28(16-27(26)15-24)18-31(40)25-7-10-34-32(17-25)39-22-33(23-39)8-3-2-4-9-33;1-36-30(22-37-12-14-41-15-13-37)29(21-35-36)23-2-3-25-20-34-27(17-26(25)16-23)19-31(40)24-6-7-33-32(18-24)39-10-8-38(9-11-39)28-4-5-28;1-36-10-7-28(8-11-36)37(2)32-18-24(6-9-33-32)31(40)19-27-17-26-16-23(4-5-25(26)20-34-27)29-21-35-38(3)30(29)22-39-12-14-41-15-13-39;1-23(2)38-8-10-39(11-9-38)32-18-25(6-7-33-32)31(40)19-28-17-27-16-24(4-5-26(27)20-34-28)29-21-35-36(3)30(29)22-37-12-14-41-15-13-37;1-36-29(21-37-11-13-39-14-12-37)28(20-34-36)22-7-8-24-19-33-27(16-25(24)15-22)18-30(38)23-9-10-32-31(17-23)35-26-5-3-2-4-6-26/h3-5,8,15-17,19-20H,6-7,9-14,18,21-23H2,1-2H3;5-7,10,15-17,19-20H,2-4,8-9,11-14,18,21-23H2,1H3;2-3,6-7,16-18,20-21,28H,4-5,8-15,19,22H2,1H3;4-6,9,16-18,20-21,28H,7-8,10-15,19,22H2,1-3H3;4-7,16-18,20-21,23H,8-15,19,22H2,1-3H3;7-10,15-17,19-20,26H,2-6,11-14,18,21H2,1H3,(H,32,35).
What are the key properties of 1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(cyclohexylamino)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone?
1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(cyclohexylamino)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone has a molecular weight of 3300.21 g/mol, XLogP of 25.12, 46 rotatable bonds, 1 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(cyclohexylamino)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone is sourced from PubChem (CID 158632496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).