N-benzyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(3-chlorophenyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(2-hydroxyethyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-propan-2-yl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide

C118H135ClN28O5 — CID 158338084

IUPACN-benzyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(3-chlorophenyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(2-hydroxyethyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-propan-2-yl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide
SMILESCC(C)NC(=O)Cn1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1.O=C(Cn1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1)NCCO.O=C(Cn1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1)NCc1ccccc1.O=C(Cn1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1)Nc1cccc(Cl)c1
InChIInChI=1S/C32H35N7O.C31H32ClN7O.C28H35N7O.C27H33N7O2/c40-32(33-21-27-8-2-1-3-9-27)24-38-23-28(22-34-38)29-11-6-12-31-35-30(36-39(29)31)20-26-15-13-25(14-16-26)10-7-19-37-17-4-5-18-37;32-26-7-3-8-27(19-26)34-31(40)22-38-21-25(20-33-38)28-9-4-10-30-35-29(36-39(28)30)18-24-13-11-23(12-14-24)6-5-17-37-15-1-2-16-37;1-21(2)30-28(36)20-34-19-24(18-29-34)25-8-5-9-27-31-26(32-35(25)27)17-23-12-10-22(11-13-23)7-6-16-33-14-3-4-15-33;35-16-12-28-27(36)20-33-19-23(18-29-33)24-6-3-7-26-30-25(31-34(24)26)17-22-10-8-21(9-11-22)5-4-15-32-13-1-2-14-32/h1-3,6,8-9,11-16,22-23H,4-5,7,10,17-21,24H2,(H,33,40);3-4,7-14,19-21H,1-2,5-6,15-18,22H2,(H,34,40);5,8-13,18-19,21H,3-4,6-7,14-17,20H2,1-2H3,(H,30,36);3,6-11,18-19,35H,1-2,4-5,12-17,20H2,(H,28,36)
InChIKeyGQVFISVKVQIEHN-UHFFFAOYSA-N
MW2061.02 g/mol
LogP16.09
Rot. Bonds42

About N-benzyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(3-chlorophenyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(2-hydroxyethyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-propan-2-yl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide

N-benzyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(3-chlorophenyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(2-hydroxyethyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-propan-2-yl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide (PubChem CID 158338084) has the molecular formula C118H135ClN28O5 and a molecular weight of 2061.02 g/mol. Its IUPAC name is N-benzyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(3-chlorophenyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(2-hydroxyethyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-propan-2-yl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(3-chlorophenyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(2-hydroxyethyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-propan-2-yl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide
PubChem CID158338084
Molecular FormulaC118H135ClN28O5
Molecular Weight2061.02 g/mol
Exact Mass2059.09
IUPAC NameN-benzyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(3-chlorophenyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(2-hydroxyethyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-propan-2-yl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide
SMILESCC(C)NC(=O)Cn1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1.O=C(Cn1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1)NCCO.O=C(Cn1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1)NCc1ccccc1.O=C(Cn1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1)Nc1cccc(Cl)c1
InChIInChI=1S/C32H35N7O.C31H32ClN7O.C28H35N7O.C27H33N7O2/c40-32(33-21-27-8-2-1-3-9-27)24-38-23-28(22-34-38)29-11-6-12-31-35-30(36-39(29)31)20-26-15-13-25(14-16-26)10-7-19-37-17-4-5-18-37;32-26-7-3-8-27(19-26)34-31(40)22-38-21-25(20-33-38)28-9-4-10-30-35-29(36-39(28)30)18-24-13-11-23(12-14-24)6-5-17-37-15-1-2-16-37;1-21(2)30-28(36)20-34-19-24(18-29-34)25-8-5-9-27-31-26(32-35(25)27)17-23-12-10-22(11-13-23)7-6-16-33-14-3-4-15-33;35-16-12-28-27(36)20-33-19-23(18-29-33)24-6-3-7-26-30-25(31-34(24)26)17-22-10-8-21(9-11-22)5-4-15-32-13-1-2-14-32/h1-3,6,8-9,11-16,22-23H,4-5,7,10,17-21,24H2,(H,33,40);3-4,7-14,19-21H,1-2,5-6,15-18,22H2,(H,34,40);5,8-13,18-19,21H,3-4,6-7,14-17,20H2,1-2H3,(H,30,36);3,6-11,18-19,35H,1-2,4-5,12-17,20H2,(H,28,36)
InChIKeyGQVFISVKVQIEHN-UHFFFAOYSA-N
XLogP16.09
TPSA341.63 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds42
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002061.02
LogP ≤ 516.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze N-benzyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(3-chlorophenyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(2-hydroxyethyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-propan-2-yl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide with MolForge

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Related Compounds

N-[5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]-7-[3-[(2R)-1-[3-(dimethylcarbamoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-2,5-difluorophenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxyazetidine-1-carboxamide
CID 129103666
[4-[1-[1-(2,4-Dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[4-[1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-piperidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;2,2,2-trifluoroacetic acid;tetrahydrochloride
CID 157156745
2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-ethynylpiperidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 157197394
2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 157639429
5-(5-Amino-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)-1-propan-2-ylpyridin-2-one;7-(2-chloro-4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(morpholin-4-ylmethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 160661924
7-[[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;tris(7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one);7-[[4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 167629207
2-[(4-aminopiperidin-1-yl)methyl]-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;N-[2-[2-[[8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]methylamino]ethoxy]ethyl]-2-pyrrolidin-1-ylacetamide
CID 89783963
N-methyl-N-(2-morpholin-4-ylethyl)-8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazine-2-carboxamide;N-methyl-8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a][1,3,5]triazine-2-carboxamide;piperazin-1-yl-[8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]methanone
CID 89784725
1-[[4-[[4-[(6-Chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methylamino]pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenyl]methyl]pyridin-2-one
CID 118499466
1-[[4-[[4-[(7-Chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methylamino]pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenyl]methyl]pyridin-2-one
CID 118500154
2-[3-[[9-[4-[1-imino-3-[2-[[[2-[3-[[9-[4-[(Z)-1-[2-[2-[[2-[3-[[9-[4-(1-imino-3-propyliminopropan-2-yl)phenyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]acetyl]-methylamino]ethoxy]ethylimino]-4-methylhex-2-en-2-yl]phenyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]acetyl]-methylamino]methoxy]ethylimino]propan-2-yl]phenyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]-N,N-dimethylacetamide
CID 123390467
1-[4-[2-amino-10-[6-[4-[5-[4-[2-amino-4-methyl-10-(1-phenylpyrazol-4-yl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidine-1-carbonyl]-1H-1,2,4-triazol-3-yl]-1-methylpyrazol-3-yl]-3-pyridinyl]-4-methyl-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone
CID 129273193

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(3-chlorophenyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(2-hydroxyethyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-propan-2-yl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(3-chlorophenyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(2-hydroxyethyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-propan-2-yl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide (CID 158338084) is N-benzyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(3-chlorophenyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(2-hydroxyethyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-propan-2-yl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(3-chlorophenyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(2-hydroxyethyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-propan-2-yl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(3-chlorophenyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(2-hydroxyethyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-propan-2-yl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide is CC(C)NC(=O)Cn1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1.O=C(Cn1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1)NCCO.O=C(Cn1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1)NCc1ccccc1.O=C(Cn1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1)Nc1cccc(Cl)c1.
What is the InChIKey of N-benzyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(3-chlorophenyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(2-hydroxyethyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-propan-2-yl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide?
The InChIKey is GQVFISVKVQIEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N7O.C31H32ClN7O.C28H35N7O.C27H33N7O2/c40-32(33-21-27-8-2-1-3-9-27)24-38-23-28(22-34-38)29-11-6-12-31-35-30(36-39(29)31)20-26-15-13-25(14-16-26)10-7-19-37-17-4-5-18-37;32-26-7-3-8-27(19-26)34-31(40)22-38-21-25(20-33-38)28-9-4-10-30-35-29(36-39(28)30)18-24-13-11-23(12-14-24)6-5-17-37-15-1-2-16-37;1-21(2)30-28(36)20-34-19-24(18-29-34)25-8-5-9-27-31-26(32-35(25)27)17-23-12-10-22(11-13-23)7-6-16-33-14-3-4-15-33;35-16-12-28-27(36)20-33-19-23(18-29-33)24-6-3-7-26-30-25(31-34(24)26)17-22-10-8-21(9-11-22)5-4-15-32-13-1-2-14-32/h1-3,6,8-9,11-16,22-23H,4-5,7,10,17-21,24H2,(H,33,40);3-4,7-14,19-21H,1-2,5-6,15-18,22H2,(H,34,40);5,8-13,18-19,21H,3-4,6-7,14-17,20H2,1-2H3,(H,30,36);3,6-11,18-19,35H,1-2,4-5,12-17,20H2,(H,28,36).
What are the key properties of N-benzyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(3-chlorophenyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(2-hydroxyethyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-propan-2-yl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide?
N-benzyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(3-chlorophenyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(2-hydroxyethyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-propan-2-yl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide has a molecular weight of 2061.02 g/mol, XLogP of 16.09, 42 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(3-chlorophenyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-(2-hydroxyethyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-propan-2-yl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 158338084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).