1-[4-[4-[(2-cyclopentylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[4-[4-[(2-cyclopropylacetyl)amino]triazol-1-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-(oxan-4-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide

C129H146F14N48O16S4 — CID 159606689

IUPAC1-[4-[4-[(2-cyclopentylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[4-[4-[(2-cyclopropylacetyl)amino]triazol-1-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-(oxan-4-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide
SMILESCC(F)(F)Oc1cccc(CNC(=O)c2cn(CCCCn3cc(NC(=O)CC4CC4)nn3)nn2)c1.CC(F)(F)c1ccnc(CNC(=O)c2cn(C[C@H](F)CCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1.CNC(=O)c1cn(CC(F)CCc2nnc(NC(=O)Cc3cc(C4CCOCC4)ccn3)s2)nn1.CNC(=O)c1cn(C[C@@H](F)CCc2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)s2)nn1.CNC(=O)c1cn(C[C@H](F)CCc2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)s2)nn1.O=C(CC1CCCC1)Nc1cn(CCCCn2cc(C(=O)NCc3ccccn3)nn2)nn1
InChIInChI=1S/C24H24F3N9O2S.C23H28F2N8O3.C22H27FN8O3S.C22H29N9O2.2C19H19F4N7O3S/c1-24(26,27)15-7-9-29-18(10-15)12-30-22(38)19-14-36(35-32-19)13-16(25)5-6-21-33-34-23(39-21)31-20(37)11-17-4-2-3-8-28-17;1-23(24,25)36-18-6-4-5-17(11-18)13-26-22(35)19-14-32(30-28-19)9-2-3-10-33-15-20(29-31-33)27-21(34)12-16-7-8-16;1-24-21(33)18-13-31(30-27-18)12-16(23)2-3-20-28-29-22(35-20)26-19(32)11-17-10-15(4-7-25-17)14-5-8-34-9-6-14;32-21(13-17-7-1-2-8-17)25-20-16-31(29-27-20)12-6-5-11-30-15-19(26-28-30)22(33)24-14-18-9-3-4-10-23-18;2*1-24-17(32)14-10-30(29-26-14)9-12(20)5-6-16-27-28-18(34-16)25-15(31)8-11-3-2-4-13(7-11)33-19(21,22)23/h2-4,7-10,14,16H,5-6,11-13H2,1H3,(H,30,38)(H,31,34,37);4-6,11,14-16H,2-3,7-10,12-13H2,1H3,(H,26,35)(H,27,34);4,7,10,13-14,16H,2-3,5-6,8-9,11-12H2,1H3,(H,24,33)(H,26,29,32);3-4,9-10,15-17H,1-2,5-8,11-14H2,(H,24,33)(H,25,32);2*2-4,7,10,12H,5-6,8-9H2,1H3,(H,24,32)(H,25,28,31)/t16-;;;;2*12-/m1...10/s1
InChIKeyMMDZCTCYJCVVKL-WTCREERMSA-N
MW3019.15 g/mol
LogP15.33
Rot. Bonds66

About 1-[4-[4-[(2-cyclopentylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[4-[4-[(2-cyclopropylacetyl)amino]triazol-1-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-(oxan-4-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide

1-[4-[4-[(2-cyclopentylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[4-[4-[(2-cyclopropylacetyl)amino]triazol-1-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-(oxan-4-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide (PubChem CID 159606689) has the molecular formula C129H146F14N48O16S4 and a molecular weight of 3019.15 g/mol. Its IUPAC name is 1-[4-[4-[(2-cyclopentylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[4-[4-[(2-cyclopropylacetyl)amino]triazol-1-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-(oxan-4-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[4-[(2-cyclopentylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[4-[4-[(2-cyclopropylacetyl)amino]triazol-1-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-(oxan-4-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide
PubChem CID159606689
Molecular FormulaC129H146F14N48O16S4
Molecular Weight3019.15 g/mol
Exact Mass3017.07
IUPAC Name1-[4-[4-[(2-cyclopentylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[4-[4-[(2-cyclopropylacetyl)amino]triazol-1-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-(oxan-4-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide
SMILESCC(F)(F)Oc1cccc(CNC(=O)c2cn(CCCCn3cc(NC(=O)CC4CC4)nn3)nn2)c1.CC(F)(F)c1ccnc(CNC(=O)c2cn(C[C@H](F)CCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1.CNC(=O)c1cn(CC(F)CCc2nnc(NC(=O)Cc3cc(C4CCOCC4)ccn3)s2)nn1.CNC(=O)c1cn(C[C@@H](F)CCc2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)s2)nn1.CNC(=O)c1cn(C[C@H](F)CCc2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)s2)nn1.O=C(CC1CCCC1)Nc1cn(CCCCn2cc(C(=O)NCc3ccccn3)nn2)nn1
InChIInChI=1S/C24H24F3N9O2S.C23H28F2N8O3.C22H27FN8O3S.C22H29N9O2.2C19H19F4N7O3S/c1-24(26,27)15-7-9-29-18(10-15)12-30-22(38)19-14-36(35-32-19)13-16(25)5-6-21-33-34-23(39-21)31-20(37)11-17-4-2-3-8-28-17;1-23(24,25)36-18-6-4-5-17(11-18)13-26-22(35)19-14-32(30-28-19)9-2-3-10-33-15-20(29-31-33)27-21(34)12-16-7-8-16;1-24-21(33)18-13-31(30-27-18)12-16(23)2-3-20-28-29-22(35-20)26-19(32)11-17-10-15(4-7-25-17)14-5-8-34-9-6-14;32-21(13-17-7-1-2-8-17)25-20-16-31(29-27-20)12-6-5-11-30-15-19(26-28-30)22(33)24-14-18-9-3-4-10-23-18;2*1-24-17(32)14-10-30(29-26-14)9-12(20)5-6-16-27-28-18(34-16)25-15(31)8-11-3-2-4-13(7-11)33-19(21,22)23/h2-4,7-10,14,16H,5-6,11-13H2,1H3,(H,30,38)(H,31,34,37);4-6,11,14-16H,2-3,7-10,12-13H2,1H3,(H,26,35)(H,27,34);4,7,10,13-14,16H,2-3,5-6,8-9,11-12H2,1H3,(H,24,33)(H,26,29,32);3-4,9-10,15-17H,1-2,5-8,11-14H2,(H,24,33)(H,25,32);2*2-4,7,10,12H,5-6,8-9H2,1H3,(H,24,32)(H,25,28,31)/t16-;;;;2*12-/m1...10/s1
InChIKeyMMDZCTCYJCVVKL-WTCREERMSA-N
XLogP15.33
TPSA786.48 Ų
H-Bond Donors12
H-Bond Acceptors56
Rotatable Bonds66
Heavy Atoms211
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003019.15
LogP ≤ 515.33
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

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

Analyze 1-[4-[4-[(2-cyclopentylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[4-[4-[(2-cyclopropylacetyl)amino]triazol-1-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-(oxan-4-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide 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 1-[4-[4-[(2-cyclopentylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[4-[4-[(2-cyclopropylacetyl)amino]triazol-1-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-(oxan-4-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide?
The IUPAC name of 1-[4-[4-[(2-cyclopentylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[4-[4-[(2-cyclopropylacetyl)amino]triazol-1-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-(oxan-4-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide (CID 159606689) is 1-[4-[4-[(2-cyclopentylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[4-[4-[(2-cyclopropylacetyl)amino]triazol-1-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-(oxan-4-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-[4-[4-[(2-cyclopentylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[4-[4-[(2-cyclopropylacetyl)amino]triazol-1-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-(oxan-4-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide?
The canonical SMILES for 1-[4-[4-[(2-cyclopentylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[4-[4-[(2-cyclopropylacetyl)amino]triazol-1-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-(oxan-4-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide is CC(F)(F)Oc1cccc(CNC(=O)c2cn(CCCCn3cc(NC(=O)CC4CC4)nn3)nn2)c1.CC(F)(F)c1ccnc(CNC(=O)c2cn(C[C@H](F)CCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1.CNC(=O)c1cn(CC(F)CCc2nnc(NC(=O)Cc3cc(C4CCOCC4)ccn3)s2)nn1.CNC(=O)c1cn(C[C@@H](F)CCc2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)s2)nn1.CNC(=O)c1cn(C[C@H](F)CCc2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)s2)nn1.O=C(CC1CCCC1)Nc1cn(CCCCn2cc(C(=O)NCc3ccccn3)nn2)nn1.
What is the InChIKey of 1-[4-[4-[(2-cyclopentylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[4-[4-[(2-cyclopropylacetyl)amino]triazol-1-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-(oxan-4-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide?
The InChIKey is MMDZCTCYJCVVKL-WTCREERMSA-N. The full InChI is InChI=1S/C24H24F3N9O2S.C23H28F2N8O3.C22H27FN8O3S.C22H29N9O2.2C19H19F4N7O3S/c1-24(26,27)15-7-9-29-18(10-15)12-30-22(38)19-14-36(35-32-19)13-16(25)5-6-21-33-34-23(39-21)31-20(37)11-17-4-2-3-8-28-17;1-23(24,25)36-18-6-4-5-17(11-18)13-26-22(35)19-14-32(30-28-19)9-2-3-10-33-15-20(29-31-33)27-21(34)12-16-7-8-16;1-24-21(33)18-13-31(30-27-18)12-16(23)2-3-20-28-29-22(35-20)26-19(32)11-17-10-15(4-7-25-17)14-5-8-34-9-6-14;32-21(13-17-7-1-2-8-17)25-20-16-31(29-27-20)12-6-5-11-30-15-19(26-28-30)22(33)24-14-18-9-3-4-10-23-18;2*1-24-17(32)14-10-30(29-26-14)9-12(20)5-6-16-27-28-18(34-16)25-15(31)8-11-3-2-4-13(7-11)33-19(21,22)23/h2-4,7-10,14,16H,5-6,11-13H2,1H3,(H,30,38)(H,31,34,37);4-6,11,14-16H,2-3,7-10,12-13H2,1H3,(H,26,35)(H,27,34);4,7,10,13-14,16H,2-3,5-6,8-9,11-12H2,1H3,(H,24,33)(H,26,29,32);3-4,9-10,15-17H,1-2,5-8,11-14H2,(H,24,33)(H,25,32);2*2-4,7,10,12H,5-6,8-9H2,1H3,(H,24,32)(H,25,28,31)/t16-;;;;2*12-/m1...10/s1.
What are the key properties of 1-[4-[4-[(2-cyclopentylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[4-[4-[(2-cyclopropylacetyl)amino]triazol-1-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-(oxan-4-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide?
1-[4-[4-[(2-cyclopentylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[4-[4-[(2-cyclopropylacetyl)amino]triazol-1-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-(oxan-4-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide has a molecular weight of 3019.15 g/mol, XLogP of 15.33, 66 rotatable bonds, 12 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(2-cyclopentylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[4-[4-[(2-cyclopropylacetyl)amino]triazol-1-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[2-fluoro-4-[5-[[2-[4-(oxan-4-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 159606689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).