N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine

C144H122F9N57O6S3 — CID 159673565

IUPACN-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine
SMILESCc1cc(-c2ccc3nnc(CNc4ccnc5cc(OCCn6cccn6)cnc45)n3n2)sn1.Cc1cc(-c2ccc3nnc(CNc4ccnc5cc(OCCn6ccnn6)cnc45)n3n2)sn1.Cc1cc(-c2ccc3nnc(CNc4ccnc5cc(OCCn6cncn6)cnc45)n3n2)sn1.Fc1cc(F)cc(-c2ccc3nnc(CNc4ccnc5cc(OCCN6CCC(F)(F)C6)cnc45)n3n2)c1.Fc1cc(F)cc(-c2ccc3nnc(CNc4ccnc5cc(OCCN6CC[C@@H](F)C6)cnc45)n3n2)c1.Fc1cc(F)cc(-c2ccc3nnc(CNc4ccnc5cc(OCCn6cccn6)cnc45)n3n2)c1
InChIInChI=1S/C26H22F4N8O.C26H23F3N8O.C25H19F2N9O.C23H20N10OS.2C22H19N11OS/c27-17-9-16(10-18(28)11-17)20-1-2-23-34-35-24(38(23)36-20)14-32-21-3-5-31-22-12-19(13-33-25(21)22)39-8-7-37-6-4-26(29,30)15-37;27-17-4-6-36(15-17)7-8-38-20-12-23-26(32-13-20)22(3-5-30-23)31-14-25-34-33-24-2-1-21(35-37(24)25)16-9-18(28)11-19(29)10-16;26-17-10-16(11-18(27)12-17)20-2-3-23-32-33-24(36(23)34-20)15-29-21-4-6-28-22-13-19(14-30-25(21)22)37-9-8-35-7-1-5-31-35;1-15-11-20(35-31-15)17-3-4-21-28-29-22(33(21)30-17)14-25-18-5-7-24-19-12-16(13-26-23(18)19)34-10-9-32-8-2-6-27-32;1-14-8-19(35-31-14)16-2-3-20-28-29-21(33(20)30-16)11-25-17-4-5-24-18-9-15(10-26-22(17)18)34-7-6-32-13-23-12-27-32;1-14-10-19(35-30-14)16-2-3-20-27-28-21(33(20)29-16)13-24-17-4-5-23-18-11-15(12-25-22(17)18)34-9-8-32-7-6-26-31-32/h1-3,5,9-13H,4,6-8,14-15H2,(H,31,32);1-3,5,9-13,17H,4,6-8,14-15H2,(H,30,31);1-7,10-14H,8-9,15H2,(H,28,29);2-8,11-13H,9-10,14H2,1H3,(H,24,25);2-5,8-10,12-13H,6-7,11H2,1H3,(H,24,25);2-7,10-12H,8-9,13H2,1H3,(H,23,24)/t;17-;;;;/m.1..../s1
InChIKeyMUHPEYMZADLFHD-IQTGGXRUSA-N
MW3014.14 g/mol
LogP21.24
Rot. Bonds48

About N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine

N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine (PubChem CID 159673565) has the molecular formula C144H122F9N57O6S3 and a molecular weight of 3014.14 g/mol. Its IUPAC name is N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine.

Molecular Properties

Compound NameN-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine
PubChem CID159673565
Molecular FormulaC144H122F9N57O6S3
Molecular Weight3014.14 g/mol
Exact Mass3012.00
IUPAC NameN-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine
SMILESCc1cc(-c2ccc3nnc(CNc4ccnc5cc(OCCn6cccn6)cnc45)n3n2)sn1.Cc1cc(-c2ccc3nnc(CNc4ccnc5cc(OCCn6ccnn6)cnc45)n3n2)sn1.Cc1cc(-c2ccc3nnc(CNc4ccnc5cc(OCCn6cncn6)cnc45)n3n2)sn1.Fc1cc(F)cc(-c2ccc3nnc(CNc4ccnc5cc(OCCN6CCC(F)(F)C6)cnc45)n3n2)c1.Fc1cc(F)cc(-c2ccc3nnc(CNc4ccnc5cc(OCCN6CC[C@@H](F)C6)cnc45)n3n2)c1.Fc1cc(F)cc(-c2ccc3nnc(CNc4ccnc5cc(OCCn6cccn6)cnc45)n3n2)c1
InChIInChI=1S/C26H22F4N8O.C26H23F3N8O.C25H19F2N9O.C23H20N10OS.2C22H19N11OS/c27-17-9-16(10-18(28)11-17)20-1-2-23-34-35-24(38(23)36-20)14-32-21-3-5-31-22-12-19(13-33-25(21)22)39-8-7-37-6-4-26(29,30)15-37;27-17-4-6-36(15-17)7-8-38-20-12-23-26(32-13-20)22(3-5-30-23)31-14-25-34-33-24-2-1-21(35-37(24)25)16-9-18(28)11-19(29)10-16;26-17-10-16(11-18(27)12-17)20-2-3-23-32-33-24(36(23)34-20)15-29-21-4-6-28-22-13-19(14-30-25(21)22)37-9-8-35-7-1-5-31-35;1-15-11-20(35-31-15)17-3-4-21-28-29-22(33(21)30-17)14-25-18-5-7-24-19-12-16(13-26-23(18)19)34-10-9-32-8-2-6-27-32;1-14-8-19(35-31-14)16-2-3-20-28-29-21(33(20)30-16)11-25-17-4-5-24-18-9-15(10-26-22(17)18)34-7-6-32-13-23-12-27-32;1-14-10-19(35-30-14)16-2-3-20-27-28-21(33(20)29-16)13-24-17-4-5-23-18-11-15(12-25-22(17)18)34-9-8-32-7-6-26-31-32/h1-3,5,9-13H,4,6-8,14-15H2,(H,31,32);1-3,5,9-13,17H,4,6-8,14-15H2,(H,30,31);1-7,10-14H,8-9,15H2,(H,28,29);2-8,11-13H,9-10,14H2,1H3,(H,24,25);2-5,8-10,12-13H,6-7,11H2,1H3,(H,24,25);2-7,10-12H,8-9,13H2,1H3,(H,23,24)/t;17-;;;;/m.1..../s1
InChIKeyMUHPEYMZADLFHD-IQTGGXRUSA-N
XLogP21.24
TPSA682.93 Ų
H-Bond Donors6
H-Bond Acceptors66
Rotatable Bonds48
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003014.14
LogP ≤ 521.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1066

Analyze N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine with MolForge

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Related Compounds

N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine
CID 57691188
N-[[8-fluoro-6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine
CID 57691130
N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine
CID 57691332
7-(2-Methoxyethoxy)-N-[[6-(3-methyl-5-isothiazolyl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 44156962
(R)-N-((6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-7-(pyrrolidin-2-ylmethoxy)-1,5-naphthyridin-4-amine
CID 44180593
N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethoxy]-1,5-naphthyridin-4-amine
CID 57690923
N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-1,5-naphthyridin-4-amine
CID 57690940
N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-amine
CID 57690968
N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-amine
CID 57691124
N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-1,5-naphthyridin-4-amine
CID 57691129
7-(difluoromethoxy)-N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 57691133
7-(2,2-difluoroethoxy)-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 57691268

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine?
The IUPAC name of N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine (CID 159673565) is N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine.
What is the SMILES notation for N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine?
The canonical SMILES for N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine is Cc1cc(-c2ccc3nnc(CNc4ccnc5cc(OCCn6cccn6)cnc45)n3n2)sn1.Cc1cc(-c2ccc3nnc(CNc4ccnc5cc(OCCn6ccnn6)cnc45)n3n2)sn1.Cc1cc(-c2ccc3nnc(CNc4ccnc5cc(OCCn6cncn6)cnc45)n3n2)sn1.Fc1cc(F)cc(-c2ccc3nnc(CNc4ccnc5cc(OCCN6CCC(F)(F)C6)cnc45)n3n2)c1.Fc1cc(F)cc(-c2ccc3nnc(CNc4ccnc5cc(OCCN6CC[C@@H](F)C6)cnc45)n3n2)c1.Fc1cc(F)cc(-c2ccc3nnc(CNc4ccnc5cc(OCCn6cccn6)cnc45)n3n2)c1.
What is the InChIKey of N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine?
The InChIKey is MUHPEYMZADLFHD-IQTGGXRUSA-N. The full InChI is InChI=1S/C26H22F4N8O.C26H23F3N8O.C25H19F2N9O.C23H20N10OS.2C22H19N11OS/c27-17-9-16(10-18(28)11-17)20-1-2-23-34-35-24(38(23)36-20)14-32-21-3-5-31-22-12-19(13-33-25(21)22)39-8-7-37-6-4-26(29,30)15-37;27-17-4-6-36(15-17)7-8-38-20-12-23-26(32-13-20)22(3-5-30-23)31-14-25-34-33-24-2-1-21(35-37(24)25)16-9-18(28)11-19(29)10-16;26-17-10-16(11-18(27)12-17)20-2-3-23-32-33-24(36(23)34-20)15-29-21-4-6-28-22-13-19(14-30-25(21)22)37-9-8-35-7-1-5-31-35;1-15-11-20(35-31-15)17-3-4-21-28-29-22(33(21)30-17)14-25-18-5-7-24-19-12-16(13-26-23(18)19)34-10-9-32-8-2-6-27-32;1-14-8-19(35-31-14)16-2-3-20-28-29-21(33(20)30-16)11-25-17-4-5-24-18-9-15(10-26-22(17)18)34-7-6-32-13-23-12-27-32;1-14-10-19(35-30-14)16-2-3-20-27-28-21(33(20)29-16)13-24-17-4-5-23-18-11-15(12-25-22(17)18)34-9-8-32-7-6-26-31-32/h1-3,5,9-13H,4,6-8,14-15H2,(H,31,32);1-3,5,9-13,17H,4,6-8,14-15H2,(H,30,31);1-7,10-14H,8-9,15H2,(H,28,29);2-8,11-13H,9-10,14H2,1H3,(H,24,25);2-5,8-10,12-13H,6-7,11H2,1H3,(H,24,25);2-7,10-12H,8-9,13H2,1H3,(H,23,24)/t;17-;;;;/m.1..../s1.
What are the key properties of N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine?
N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine has a molecular weight of 3014.14 g/mol, XLogP of 21.24, 48 rotatable bonds, 6 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 159673565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).