1-[4-[4-(cyclopentylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;N-[(3-cyclopropylphenyl)methyl]-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[[(1S)-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide

C179H205F16N61O18 — CID 157219877

IUPAC1-[4-[4-(cyclopentylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;N-[(3-cyclopropylphenyl)methyl]-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[[(1S)-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide
SMILESCC(F)(F)c1ccnc(CCC(=O)c2cn(CCCCn3cc(C(=O)NC[C@@H]4CC5CCC4O5)nn3)nn2)c1.CC(F)(F)c1ccnc(CCC(=O)c2cn(CCCCn3cc(C(=O)NC[C@H]4CC5CCC4O5)nn3)nn2)c1.CC(F)(F)c1ccnc(CNC(=O)c2cn(CCCCn3cc(C(=O)NC4CCCC4)nn3)nn2)c1.CC(F)(F)c1ccnc(CNC(=O)c2cn(CCCCn3cc(C(=O)N[C@@H](CO)c4ccccc4)nn3)nn2)c1.CC(F)(F)c1ccnc(CNC(=O)c2cn(CCCCn3cc(C(=O)N[C@H](CO)c4ccccc4)nn3)nn2)c1.C[C@H](NC(=O)c1cn(CCCCn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)nn1)c1ccccc1.O=C(NCc1cccc(C2CC2)c1)c1cn(CCCCn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)nn1
InChIInChI=1S/C27H28F3N9O2.2C26H29F2N9O3.2C26H32F2N8O3.C25H26F3N9O2.C23H29F2N9O2/c28-27(29,30)21-8-9-31-22(13-21)15-33-26(41)24-17-39(37-35-24)11-2-1-10-38-16-23(34-36-38)25(40)32-14-18-4-3-5-20(12-18)19-6-7-19;2*1-26(27,28)19-9-10-29-20(13-19)14-30-24(39)21-15-36(34-32-21)11-5-6-12-37-16-22(33-35-37)25(40)31-23(17-38)18-7-3-2-4-8-18;2*1-26(27,28)18-8-9-29-19(13-18)4-6-23(37)21-15-35(33-31-21)10-2-3-11-36-16-22(32-34-36)25(38)30-14-17-12-20-5-7-24(17)39-20;1-17(18-7-3-2-4-8-18)31-24(39)22-16-37(35-33-22)12-6-5-11-36-15-21(32-34-36)23(38)30-14-20-13-19(9-10-29-20)25(26,27)28;1-23(24,25)16-8-9-26-18(12-16)13-27-21(35)19-14-33(31-29-19)10-4-5-11-34-15-20(30-32-34)22(36)28-17-6-2-3-7-17/h3-5,8-9,12-13,16-17,19H,1-2,6-7,10-11,14-15H2,(H,32,40)(H,33,41);2*2-4,7-10,13,15-16,23,38H,5-6,11-12,14,17H2,1H3,(H,30,39)(H,31,40);2*8-9,13,15-17,20,24H,2-7,10-12,14H2,1H3,(H,30,38);2-4,7-10,13,15-17H,5-6,11-12,14H2,1H3,(H,30,38)(H,31,39);8-9,12,14-15,17H,2-7,10-11,13H2,1H3,(H,27,35)(H,28,36)/t;2*23-;2*17-,20?,24?;17-;/m.10100./s1
InChIKeyASVWWPYDJFYVGQ-JEQJPLLHSA-N
MW3802.99 g/mol
LogP19.58
Rot. Bonds86

About 1-[4-[4-(cyclopentylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;N-[(3-cyclopropylphenyl)methyl]-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[[(1S)-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide

1-[4-[4-(cyclopentylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;N-[(3-cyclopropylphenyl)methyl]-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[[(1S)-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide (PubChem CID 157219877) has the molecular formula C179H205F16N61O18 and a molecular weight of 3802.99 g/mol. Its IUPAC name is 1-[4-[4-(cyclopentylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;N-[(3-cyclopropylphenyl)methyl]-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[[(1S)-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[4-(cyclopentylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;N-[(3-cyclopropylphenyl)methyl]-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[[(1S)-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide
PubChem CID157219877
Molecular FormulaC179H205F16N61O18
Molecular Weight3802.99 g/mol
Exact Mass3800.67
IUPAC Name1-[4-[4-(cyclopentylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;N-[(3-cyclopropylphenyl)methyl]-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[[(1S)-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide
SMILESCC(F)(F)c1ccnc(CCC(=O)c2cn(CCCCn3cc(C(=O)NC[C@@H]4CC5CCC4O5)nn3)nn2)c1.CC(F)(F)c1ccnc(CCC(=O)c2cn(CCCCn3cc(C(=O)NC[C@H]4CC5CCC4O5)nn3)nn2)c1.CC(F)(F)c1ccnc(CNC(=O)c2cn(CCCCn3cc(C(=O)NC4CCCC4)nn3)nn2)c1.CC(F)(F)c1ccnc(CNC(=O)c2cn(CCCCn3cc(C(=O)N[C@@H](CO)c4ccccc4)nn3)nn2)c1.CC(F)(F)c1ccnc(CNC(=O)c2cn(CCCCn3cc(C(=O)N[C@H](CO)c4ccccc4)nn3)nn2)c1.C[C@H](NC(=O)c1cn(CCCCn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)nn1)c1ccccc1.O=C(NCc1cccc(C2CC2)c1)c1cn(CCCCn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)nn1
InChIInChI=1S/C27H28F3N9O2.2C26H29F2N9O3.2C26H32F2N8O3.C25H26F3N9O2.C23H29F2N9O2/c28-27(29,30)21-8-9-31-22(13-21)15-33-26(41)24-17-39(37-35-24)11-2-1-10-38-16-23(34-36-38)25(40)32-14-18-4-3-5-20(12-18)19-6-7-19;2*1-26(27,28)19-9-10-29-20(13-19)14-30-24(39)21-15-36(34-32-21)11-5-6-12-37-16-22(33-35-37)25(40)31-23(17-38)18-7-3-2-4-8-18;2*1-26(27,28)18-8-9-29-19(13-18)4-6-23(37)21-15-35(33-31-21)10-2-3-11-36-16-22(32-34-36)25(38)30-14-17-12-20-5-7-24(17)39-20;1-17(18-7-3-2-4-8-18)31-24(39)22-16-37(35-33-22)12-6-5-11-36-15-21(32-34-36)23(38)30-14-20-13-19(9-10-29-20)25(26,27)28;1-23(24,25)16-8-9-26-18(12-16)13-27-21(35)19-14-33(31-29-19)10-4-5-11-34-15-20(30-32-34)22(36)28-17-6-2-3-7-17/h3-5,8-9,12-13,16-17,19H,1-2,6-7,10-11,14-15H2,(H,32,40)(H,33,41);2*2-4,7-10,13,15-16,23,38H,5-6,11-12,14,17H2,1H3,(H,30,39)(H,31,40);2*8-9,13,15-17,20,24H,2-7,10-12,14H2,1H3,(H,30,38);2-4,7-10,13,15-17H,5-6,11-12,14H2,1H3,(H,30,38)(H,31,39);8-9,12,14-15,17H,2-7,10-11,13H2,1H3,(H,27,35)(H,28,36)/t;2*23-;2*17-,20?,24?;17-;/m.10100./s1
InChIKeyASVWWPYDJFYVGQ-JEQJPLLHSA-N
XLogP19.58
TPSA962.43 Ų
H-Bond Donors14
H-Bond Acceptors67
Rotatable Bonds86
Heavy Atoms274
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003802.99
LogP ≤ 519.58
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1067

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[4-(cyclopentylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;N-[(3-cyclopropylphenyl)methyl]-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[[(1S)-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(cyclopentylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;N-[(3-cyclopropylphenyl)methyl]-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[[(1S)-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-[4-[4-(cyclopentylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;N-[(3-cyclopropylphenyl)methyl]-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[[(1S)-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide (CID 157219877) is 1-[4-[4-(cyclopentylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;N-[(3-cyclopropylphenyl)methyl]-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[[(1S)-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[4-[4-(cyclopentylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;N-[(3-cyclopropylphenyl)methyl]-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[[(1S)-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-[4-[4-(cyclopentylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;N-[(3-cyclopropylphenyl)methyl]-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[[(1S)-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide is CC(F)(F)c1ccnc(CCC(=O)c2cn(CCCCn3cc(C(=O)NC[C@@H]4CC5CCC4O5)nn3)nn2)c1.CC(F)(F)c1ccnc(CCC(=O)c2cn(CCCCn3cc(C(=O)NC[C@H]4CC5CCC4O5)nn3)nn2)c1.CC(F)(F)c1ccnc(CNC(=O)c2cn(CCCCn3cc(C(=O)NC4CCCC4)nn3)nn2)c1.CC(F)(F)c1ccnc(CNC(=O)c2cn(CCCCn3cc(C(=O)N[C@@H](CO)c4ccccc4)nn3)nn2)c1.CC(F)(F)c1ccnc(CNC(=O)c2cn(CCCCn3cc(C(=O)N[C@H](CO)c4ccccc4)nn3)nn2)c1.C[C@H](NC(=O)c1cn(CCCCn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)nn1)c1ccccc1.O=C(NCc1cccc(C2CC2)c1)c1cn(CCCCn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)nn1.
What is the InChIKey of 1-[4-[4-(cyclopentylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;N-[(3-cyclopropylphenyl)methyl]-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[[(1S)-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide?
The InChIKey is ASVWWPYDJFYVGQ-JEQJPLLHSA-N. The full InChI is InChI=1S/C27H28F3N9O2.2C26H29F2N9O3.2C26H32F2N8O3.C25H26F3N9O2.C23H29F2N9O2/c28-27(29,30)21-8-9-31-22(13-21)15-33-26(41)24-17-39(37-35-24)11-2-1-10-38-16-23(34-36-38)25(40)32-14-18-4-3-5-20(12-18)19-6-7-19;2*1-26(27,28)19-9-10-29-20(13-19)14-30-24(39)21-15-36(34-32-21)11-5-6-12-37-16-22(33-35-37)25(40)31-23(17-38)18-7-3-2-4-8-18;2*1-26(27,28)18-8-9-29-19(13-18)4-6-23(37)21-15-35(33-31-21)10-2-3-11-36-16-22(32-34-36)25(38)30-14-17-12-20-5-7-24(17)39-20;1-17(18-7-3-2-4-8-18)31-24(39)22-16-37(35-33-22)12-6-5-11-36-15-21(32-34-36)23(38)30-14-20-13-19(9-10-29-20)25(26,27)28;1-23(24,25)16-8-9-26-18(12-16)13-27-21(35)19-14-33(31-29-19)10-4-5-11-34-15-20(30-32-34)22(36)28-17-6-2-3-7-17/h3-5,8-9,12-13,16-17,19H,1-2,6-7,10-11,14-15H2,(H,32,40)(H,33,41);2*2-4,7-10,13,15-16,23,38H,5-6,11-12,14,17H2,1H3,(H,30,39)(H,31,40);2*8-9,13,15-17,20,24H,2-7,10-12,14H2,1H3,(H,30,38);2-4,7-10,13,15-17H,5-6,11-12,14H2,1H3,(H,30,38)(H,31,39);8-9,12,14-15,17H,2-7,10-11,13H2,1H3,(H,27,35)(H,28,36)/t;2*23-;2*17-,20?,24?;17-;/m.10100./s1.
What are the key properties of 1-[4-[4-(cyclopentylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;N-[(3-cyclopropylphenyl)methyl]-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[[(1S)-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide?
1-[4-[4-(cyclopentylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;N-[(3-cyclopropylphenyl)methyl]-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[[(1S)-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide has a molecular weight of 3802.99 g/mol, XLogP of 19.58, 86 rotatable bonds, 14 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(cyclopentylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;N-[(3-cyclopropylphenyl)methyl]-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[4-[4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[3-[4-(1,1-difluoroethyl)-2-pyridinyl]propanoyl]triazol-1-yl]butyl]-N-[[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]triazole-4-carboxamide;1-[4-[4-[[(1S)-1-phenylethyl]carbamoyl]triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 157219877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).