N-[[6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[6-(4-prop-1-en-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide;N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(1-prop-1-en-2-ylpiperidin-4-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide

C150H164F13N33O11 — CID 159915626

IUPACN-[[6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[6-(4-prop-1-en-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide;N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(1-prop-1-en-2-ylpiperidin-4-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide
SMILESC=C(C)N1CCC(c2ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)(F)F)nc5)nn4)CC3)cc2)CC1.C=C(C)N1CCC2(CC1)CN(c1ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)(F)F)nc5)nn4)CC3)nc1)C2.C=C(C)N1CCC2(CC1)CN(c1ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)F)nc5)nn4)CC3)nc1)C2.C=C(C)N1CCN(c2ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)F)nc5)nn4)CC3)cn2)CC1.CC(=O)N1CCC2(CC1)CN(c1ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)(F)F)nc5)nn4)CC3)cn1)C2
InChIInChI=1S/C31H34F3N7O2.C31H35F2N7O2.C30H32F3N7O3.C30H32F3N5O2.C28H31F2N7O2/c1-21(2)40-13-11-29(12-14-40)19-41(20-29)24-5-4-23(35-17-24)16-37-28(42)30(9-10-30)25-7-8-27(39-38-25)43-18-22-3-6-26(36-15-22)31(32,33)34;1-21(2)39-13-11-30(12-14-39)19-40(20-30)24-5-4-23(34-17-24)16-36-29(41)31(9-10-31)26-7-8-27(38-37-26)42-18-22-3-6-25(28(32)33)35-15-22;1-20(41)39-12-10-28(11-13-39)18-40(19-28)25-6-3-21(14-35-25)15-36-27(42)29(8-9-29)23-5-7-26(38-37-23)43-17-22-2-4-24(34-16-22)30(31,32)33;1-20(2)38-15-11-24(12-16-38)23-6-3-21(4-7-23)17-35-28(39)29(13-14-29)25-9-10-27(37-36-25)40-19-22-5-8-26(34-18-22)30(31,32)33;1-19(2)36-11-13-37(14-12-36)24-7-4-20(15-32-24)16-33-27(38)28(9-10-28)23-6-8-25(35-34-23)39-18-21-3-5-22(26(29)30)31-17-21/h3-8,15,17H,1,9-14,16,18-20H2,2H3,(H,37,42);3-8,15,17,28H,1,9-14,16,18-20H2,2H3,(H,36,41);2-7,14,16H,8-13,15,17-19H2,1H3,(H,36,42);3-10,18,24H,1,11-17,19H2,2H3,(H,35,39);3-8,15,17,26H,1,9-14,16,18H2,2H3,(H,33,38)
InChIKeyNXSYVSFIBFRIMN-UHFFFAOYSA-N
MW2852.16 g/mol
LogP22.19
Rot. Bonds46

About N-[[6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[6-(4-prop-1-en-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide;N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(1-prop-1-en-2-ylpiperidin-4-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide

N-[[6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[6-(4-prop-1-en-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide;N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(1-prop-1-en-2-ylpiperidin-4-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide (PubChem CID 159915626) has the molecular formula C150H164F13N33O11 and a molecular weight of 2852.16 g/mol. Its IUPAC name is N-[[6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[6-(4-prop-1-en-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide;N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(1-prop-1-en-2-ylpiperidin-4-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[6-(4-prop-1-en-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide;N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(1-prop-1-en-2-ylpiperidin-4-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide
PubChem CID159915626
Molecular FormulaC150H164F13N33O11
Molecular Weight2852.16 g/mol
Exact Mass2850.31
IUPAC NameN-[[6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[6-(4-prop-1-en-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide;N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(1-prop-1-en-2-ylpiperidin-4-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide
SMILESC=C(C)N1CCC(c2ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)(F)F)nc5)nn4)CC3)cc2)CC1.C=C(C)N1CCC2(CC1)CN(c1ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)(F)F)nc5)nn4)CC3)nc1)C2.C=C(C)N1CCC2(CC1)CN(c1ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)F)nc5)nn4)CC3)nc1)C2.C=C(C)N1CCN(c2ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)F)nc5)nn4)CC3)cn2)CC1.CC(=O)N1CCC2(CC1)CN(c1ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)(F)F)nc5)nn4)CC3)cn1)C2
InChIInChI=1S/C31H34F3N7O2.C31H35F2N7O2.C30H32F3N7O3.C30H32F3N5O2.C28H31F2N7O2/c1-21(2)40-13-11-29(12-14-40)19-41(20-29)24-5-4-23(35-17-24)16-37-28(42)30(9-10-30)25-7-8-27(39-38-25)43-18-22-3-6-26(36-15-22)31(32,33)34;1-21(2)39-13-11-30(12-14-39)19-40(20-30)24-5-4-23(34-17-24)16-36-29(41)31(9-10-31)26-7-8-27(38-37-26)42-18-22-3-6-25(28(32)33)35-15-22;1-20(41)39-12-10-28(11-13-39)18-40(19-28)25-6-3-21(14-35-25)15-36-27(42)29(8-9-29)23-5-7-26(38-37-23)43-17-22-2-4-24(34-16-22)30(31,32)33;1-20(2)38-15-11-24(12-16-38)23-6-3-21(4-7-23)17-35-28(39)29(13-14-29)25-9-10-27(37-36-25)40-19-22-5-8-26(34-18-22)30(31,32)33;1-19(2)36-11-13-37(14-12-36)24-7-4-20(15-32-24)16-33-27(38)28(9-10-28)23-6-8-25(35-34-23)39-18-21-3-5-22(26(29)30)31-17-21/h3-8,15,17H,1,9-14,16,18-20H2,2H3,(H,37,42);3-8,15,17,28H,1,9-14,16,18-20H2,2H3,(H,36,41);2-7,14,16H,8-13,15,17-19H2,1H3,(H,36,42);3-10,18,24H,1,11-17,19H2,2H3,(H,35,39);3-8,15,17,26H,1,9-14,16,18H2,2H3,(H,33,38)
InChIKeyNXSYVSFIBFRIMN-UHFFFAOYSA-N
XLogP22.19
TPSA482.79 Ų
H-Bond Donors5
H-Bond Acceptors38
Rotatable Bonds46
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002852.16
LogP ≤ 522.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1038

Analyze N-[[6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[6-(4-prop-1-en-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide;N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(1-prop-1-en-2-ylpiperidin-4-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

US11465982, Example 1.27
CID 155770140
US11465982, Example 1.29
CID 155770143
US11465982, Example 1.30
CID 155770163
US11465982, Example 1.28
CID 155770178
CID 157078255
CID 157078255
N-[[4-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;1-[2-[4-(aminomethyl)phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxylic acid
CID 157596609
1-[4-[[4-tert-butyl-6-[2-(dimethylamino)ethoxy]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;6-tert-butyl-N-(4-methoxycyclohexyl)-N-methylpyrimidin-4-amine;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;5-tert-butyl-3-(1-methylpiperidin-4-yl)oxypyridazine;5-tert-butyl-3-piperidin-4-yloxypyridazine;2-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]acetamide;2-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]-N,N-dimethylacetamide;2-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]-N-methylacetamide;[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]-piperidin-1-ylmethanone;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine
CID 157992030
2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;4-tert-butyl-6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]butan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone
CID 158175991
4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;2-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]acetamide;2-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]-N,N-dimethylacetamide;2-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]-N-methylacetamide;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine
CID 158221484
2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;4-tert-butyl-6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclobutylmethanone;[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclopropylmethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2,2-dimethylpropan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]-3-methylbutan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-cyclopropylmethanone
CID 158643167
CID 159117523
CID 159117523
2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone
CID 159380377

Frequently Asked Questions

What is the IUPAC name of N-[[6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[6-(4-prop-1-en-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide;N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(1-prop-1-en-2-ylpiperidin-4-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of N-[[6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[6-(4-prop-1-en-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide;N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(1-prop-1-en-2-ylpiperidin-4-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide (CID 159915626) is N-[[6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[6-(4-prop-1-en-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide;N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(1-prop-1-en-2-ylpiperidin-4-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[[6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[6-(4-prop-1-en-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide;N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(1-prop-1-en-2-ylpiperidin-4-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[[6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[6-(4-prop-1-en-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide;N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(1-prop-1-en-2-ylpiperidin-4-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide is C=C(C)N1CCC(c2ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)(F)F)nc5)nn4)CC3)cc2)CC1.C=C(C)N1CCC2(CC1)CN(c1ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)(F)F)nc5)nn4)CC3)nc1)C2.C=C(C)N1CCC2(CC1)CN(c1ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)F)nc5)nn4)CC3)nc1)C2.C=C(C)N1CCN(c2ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)F)nc5)nn4)CC3)cn2)CC1.CC(=O)N1CCC2(CC1)CN(c1ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)(F)F)nc5)nn4)CC3)cn1)C2.
What is the InChIKey of N-[[6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[6-(4-prop-1-en-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide;N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(1-prop-1-en-2-ylpiperidin-4-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is NXSYVSFIBFRIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F3N7O2.C31H35F2N7O2.C30H32F3N7O3.C30H32F3N5O2.C28H31F2N7O2/c1-21(2)40-13-11-29(12-14-40)19-41(20-29)24-5-4-23(35-17-24)16-37-28(42)30(9-10-30)25-7-8-27(39-38-25)43-18-22-3-6-26(36-15-22)31(32,33)34;1-21(2)39-13-11-30(12-14-39)19-40(20-30)24-5-4-23(34-17-24)16-36-29(41)31(9-10-31)26-7-8-27(38-37-26)42-18-22-3-6-25(28(32)33)35-15-22;1-20(41)39-12-10-28(11-13-39)18-40(19-28)25-6-3-21(14-35-25)15-36-27(42)29(8-9-29)23-5-7-26(38-37-23)43-17-22-2-4-24(34-16-22)30(31,32)33;1-20(2)38-15-11-24(12-16-38)23-6-3-21(4-7-23)17-35-28(39)29(13-14-29)25-9-10-27(37-36-25)40-19-22-5-8-26(34-18-22)30(31,32)33;1-19(2)36-11-13-37(14-12-36)24-7-4-20(15-32-24)16-33-27(38)28(9-10-28)23-6-8-25(35-34-23)39-18-21-3-5-22(26(29)30)31-17-21/h3-8,15,17H,1,9-14,16,18-20H2,2H3,(H,37,42);3-8,15,17,28H,1,9-14,16,18-20H2,2H3,(H,36,41);2-7,14,16H,8-13,15,17-19H2,1H3,(H,36,42);3-10,18,24H,1,11-17,19H2,2H3,(H,35,39);3-8,15,17,26H,1,9-14,16,18H2,2H3,(H,33,38).
What are the key properties of N-[[6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[6-(4-prop-1-en-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide;N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(1-prop-1-en-2-ylpiperidin-4-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide?
N-[[6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[6-(4-prop-1-en-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide;N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(1-prop-1-en-2-ylpiperidin-4-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 2852.16 g/mol, XLogP of 22.19, 46 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[6-(4-prop-1-en-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide;N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(1-prop-1-en-2-ylpiperidin-4-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 159915626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).