7-(azetidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;[1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-yl]methanol;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine

C164H202N40O4 — CID 160720332

IUPAC7-(azetidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;[1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-yl]methanol;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
SMILESCOC1(C)CN(c2cc3c(N[C@H](C)c4cccc(C)c4C)nnc(C)c3cn2)C1.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC(C)(CO)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5(CCN(C)C5=O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN(c5cnn(C)c5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4C[C@H]5CC[C@@H]4CN5C)cc23)c1C.Cc1ccccc1[C@@H](C)Nc1nnc(C)c2cnc(N3CCOCC3)cc12
InChIInChI=1S/C26H32N8.C25H30N6O.C25H32N6.2C23H29N5O.C21H25N5O.C21H25N5/c1-17-7-6-8-22(18(17)2)19(3)29-26-23-13-25(27-15-24(23)20(4)30-31-26)34-11-9-33(10-12-34)21-14-28-32(5)16-21;1-15-7-6-8-19(16(15)2)17(3)27-23-20-11-22(26-12-21(20)18(4)28-29-23)31-13-25(14-31)9-10-30(5)24(25)32;1-15-7-6-8-21(16(15)2)17(3)27-25-22-11-24(26-12-23(22)18(4)28-29-25)31-14-19-9-10-20(31)13-30(19)5;1-14-8-7-9-18(15(14)2)16(3)25-22-19-10-21(28-12-23(5,13-28)29-6)24-11-20(19)17(4)26-27-22;1-14-7-6-8-18(15(14)2)16(3)25-22-19-9-21(28-11-23(5,12-28)13-29)24-10-20(19)17(4)26-27-22;1-14-6-4-5-7-17(14)15(2)23-21-18-12-20(26-8-10-27-11-9-26)22-13-19(18)16(3)24-25-21;1-13-7-5-8-17(14(13)2)15(3)23-21-18-11-20(26-9-6-10-26)22-12-19(18)16(4)24-25-21/h6-8,13-16,19H,9-12H2,1-5H3,(H,29,31);6-8,11-12,17H,9-10,13-14H2,1-5H3,(H,27,29);6-8,11-12,17,19-20H,9-10,13-14H2,1-5H3,(H,27,29);7-11,16H,12-13H2,1-6H3,(H,25,27);6-10,16,29H,11-13H2,1-5H3,(H,25,27);4-7,12-13,15H,8-11H2,1-3H3,(H,23,25);5,7-8,11-12,15H,6,9-10H2,1-4H3,(H,23,25)/t19-;17-;17-,19-,20-;2*16-;2*15-/m1111111/s1
InChIKeyRTADMERVNVHNBS-CKWFNDFASA-N
MW2797.70 g/mol
LogP28.66
Rot. Bonds31

About 7-(azetidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;[1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-yl]methanol;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine

7-(azetidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;[1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-yl]methanol;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine (PubChem CID 160720332) has the molecular formula C164H202N40O4 and a molecular weight of 2797.70 g/mol. Its IUPAC name is 7-(azetidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;[1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-yl]methanol;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine.

Molecular Properties

Compound Name7-(azetidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;[1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-yl]methanol;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
PubChem CID160720332
Molecular FormulaC164H202N40O4
Molecular Weight2797.70 g/mol
Exact Mass2795.68
IUPAC Name7-(azetidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;[1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-yl]methanol;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
SMILESCOC1(C)CN(c2cc3c(N[C@H](C)c4cccc(C)c4C)nnc(C)c3cn2)C1.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC(C)(CO)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5(CCN(C)C5=O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN(c5cnn(C)c5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4C[C@H]5CC[C@@H]4CN5C)cc23)c1C.Cc1ccccc1[C@@H](C)Nc1nnc(C)c2cnc(N3CCOCC3)cc12
InChIInChI=1S/C26H32N8.C25H30N6O.C25H32N6.2C23H29N5O.C21H25N5O.C21H25N5/c1-17-7-6-8-22(18(17)2)19(3)29-26-23-13-25(27-15-24(23)20(4)30-31-26)34-11-9-33(10-12-34)21-14-28-32(5)16-21;1-15-7-6-8-19(16(15)2)17(3)27-23-20-11-22(26-12-21(20)18(4)28-29-23)31-13-25(14-31)9-10-30(5)24(25)32;1-15-7-6-8-21(16(15)2)17(3)27-25-22-11-24(26-12-23(22)18(4)28-29-25)31-14-19-9-10-20(31)13-30(19)5;1-14-8-7-9-18(15(14)2)16(3)25-22-19-10-21(28-12-23(5,13-28)29-6)24-11-20(19)17(4)26-27-22;1-14-7-6-8-18(15(14)2)16(3)25-22-19-9-21(28-11-23(5,12-28)13-29)24-10-20(19)17(4)26-27-22;1-14-6-4-5-7-17(14)15(2)23-21-18-12-20(26-8-10-27-11-9-26)22-13-19(18)16(3)24-25-21;1-13-7-5-8-17(14(13)2)15(3)23-21-18-11-20(26-9-6-10-26)22-12-19(18)16(4)24-25-21/h6-8,13-16,19H,9-12H2,1-5H3,(H,29,31);6-8,11-12,17H,9-10,13-14H2,1-5H3,(H,27,29);6-8,11-12,17,19-20H,9-10,13-14H2,1-5H3,(H,27,29);7-11,16H,12-13H2,1-6H3,(H,25,27);6-10,16,29H,11-13H2,1-5H3,(H,25,27);4-7,12-13,15H,8-11H2,1-3H3,(H,23,25);5,7-8,11-12,15H,6,9-10H2,1-4H3,(H,23,25)/t19-;17-;17-,19-,20-;2*16-;2*15-/m1111111/s1
InChIKeyRTADMERVNVHNBS-CKWFNDFASA-N
XLogP28.66
TPSA460.88 Ų
H-Bond Donors8
H-Bond Acceptors43
Rotatable Bonds31
Heavy Atoms208
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002797.70
LogP ≤ 528.66
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1043

Analyze 7-(azetidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;[1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-yl]methanol;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-(azetidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;[1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-yl]methanol;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
The IUPAC name of 7-(azetidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;[1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-yl]methanol;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine (CID 160720332) is 7-(azetidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;[1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-yl]methanol;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine.
What is the SMILES notation for 7-(azetidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;[1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-yl]methanol;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
The canonical SMILES for 7-(azetidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;[1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-yl]methanol;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine is COC1(C)CN(c2cc3c(N[C@H](C)c4cccc(C)c4C)nnc(C)c3cn2)C1.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC(C)(CO)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5(CCN(C)C5=O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN(c5cnn(C)c5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4C[C@H]5CC[C@@H]4CN5C)cc23)c1C.Cc1ccccc1[C@@H](C)Nc1nnc(C)c2cnc(N3CCOCC3)cc12.
What is the InChIKey of 7-(azetidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;[1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-yl]methanol;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
The InChIKey is RTADMERVNVHNBS-CKWFNDFASA-N. The full InChI is InChI=1S/C26H32N8.C25H30N6O.C25H32N6.2C23H29N5O.C21H25N5O.C21H25N5/c1-17-7-6-8-22(18(17)2)19(3)29-26-23-13-25(27-15-24(23)20(4)30-31-26)34-11-9-33(10-12-34)21-14-28-32(5)16-21;1-15-7-6-8-19(16(15)2)17(3)27-23-20-11-22(26-12-21(20)18(4)28-29-23)31-13-25(14-31)9-10-30(5)24(25)32;1-15-7-6-8-21(16(15)2)17(3)27-25-22-11-24(26-12-23(22)18(4)28-29-25)31-14-19-9-10-20(31)13-30(19)5;1-14-8-7-9-18(15(14)2)16(3)25-22-19-10-21(28-12-23(5,13-28)29-6)24-11-20(19)17(4)26-27-22;1-14-7-6-8-18(15(14)2)16(3)25-22-19-9-21(28-11-23(5,12-28)13-29)24-10-20(19)17(4)26-27-22;1-14-6-4-5-7-17(14)15(2)23-21-18-12-20(26-8-10-27-11-9-26)22-13-19(18)16(3)24-25-21;1-13-7-5-8-17(14(13)2)15(3)23-21-18-11-20(26-9-6-10-26)22-12-19(18)16(4)24-25-21/h6-8,13-16,19H,9-12H2,1-5H3,(H,29,31);6-8,11-12,17H,9-10,13-14H2,1-5H3,(H,27,29);6-8,11-12,17,19-20H,9-10,13-14H2,1-5H3,(H,27,29);7-11,16H,12-13H2,1-6H3,(H,25,27);6-10,16,29H,11-13H2,1-5H3,(H,25,27);4-7,12-13,15H,8-11H2,1-3H3,(H,23,25);5,7-8,11-12,15H,6,9-10H2,1-4H3,(H,23,25)/t19-;17-;17-,19-,20-;2*16-;2*15-/m1111111/s1.
What are the key properties of 7-(azetidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;[1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-yl]methanol;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
7-(azetidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;[1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-yl]methanol;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine has a molecular weight of 2797.70 g/mol, XLogP of 28.66, 31 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(azetidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;[1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-yl]methanol;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 160720332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).