5-(1-benzofuran-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-benzothiophen-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3,5-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[(4-methylphenyl)methylsulfonyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

C115H122N18O3S2 — CID 157240290

IUPAC5-(1-benzofuran-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-benzothiophen-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3,5-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[(4-methylphenyl)methylsulfonyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(C)cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)c1.Cc1ccc(CS(=O)(=O)n2cc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cn2)cc1.c1ccc2oc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cc2c1.c1ccc2sc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cc2c1
InChIInChI=1S/C31H34N6O2S.C28H28N4O.C28H28N4S.C28H32N4/c1-24-9-11-27(12-10-24)23-40(38,39)36-22-28(21-32-36)29-7-4-8-31-33-30(34-37(29)31)20-26-15-13-25(14-16-26)6-5-19-35-17-2-3-18-35;2*1-2-10-25-23(8-1)20-26(33-25)24-9-5-11-28-29-27(30-32(24)28)19-22-14-12-21(13-15-22)7-6-18-31-16-3-4-17-31;1-21-17-22(2)19-25(18-21)26-8-5-9-28-29-27(30-32(26)28)20-24-12-10-23(11-13-24)7-6-16-31-14-3-4-15-31/h4,7-16,21-22H,2-3,5-6,17-20,23H2,1H3;2*1-2,5,8-15,20H,3-4,6-7,16-19H2;5,8-13,17-19H,3-4,6-7,14-16,20H2,1-2H3
InChIKeyAVCZVUZBYPAIMU-UHFFFAOYSA-N
MW1868.50 g/mol
LogP22.52
Rot. Bonds31

About 5-(1-benzofuran-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-benzothiophen-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3,5-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[(4-methylphenyl)methylsulfonyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

5-(1-benzofuran-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-benzothiophen-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3,5-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[(4-methylphenyl)methylsulfonyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 157240290) has the molecular formula C115H122N18O3S2 and a molecular weight of 1868.50 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-benzothiophen-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3,5-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[(4-methylphenyl)methylsulfonyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-benzothiophen-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3,5-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[(4-methylphenyl)methylsulfonyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID157240290
Molecular FormulaC115H122N18O3S2
Molecular Weight1868.50 g/mol
Exact Mass1866.94
IUPAC Name5-(1-benzofuran-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-benzothiophen-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3,5-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[(4-methylphenyl)methylsulfonyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(C)cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)c1.Cc1ccc(CS(=O)(=O)n2cc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cn2)cc1.c1ccc2oc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cc2c1.c1ccc2sc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cc2c1
InChIInChI=1S/C31H34N6O2S.C28H28N4O.C28H28N4S.C28H32N4/c1-24-9-11-27(12-10-24)23-40(38,39)36-22-28(21-32-36)29-7-4-8-31-33-30(34-37(29)31)20-26-15-13-25(14-16-26)6-5-19-35-17-2-3-18-35;2*1-2-10-25-23(8-1)20-26(33-25)24-9-5-11-28-29-27(30-32(24)28)19-22-14-12-21(13-15-22)7-6-18-31-16-3-4-17-31;1-21-17-22(2)19-25(18-21)26-8-5-9-28-29-27(30-32(26)28)20-24-12-10-23(11-13-24)7-6-16-31-14-3-4-15-31/h4,7-16,21-22H,2-3,5-6,17-20,23H2,1H3;2*1-2,5,8-15,20H,3-4,6-7,16-19H2;5,8-13,17-19H,3-4,6-7,14-16,20H2,1-2H3
InChIKeyAVCZVUZBYPAIMU-UHFFFAOYSA-N
XLogP22.52
TPSA198.82 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds31
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001868.50
LogP ≤ 522.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 5-(1-benzofuran-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-benzothiophen-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3,5-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[(4-methylphenyl)methylsulfonyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

1-(3H-dibenzofuran-3-id-4-yl)-3-[2-[1-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyrazol-3-yl]propan-2-yl]-4-(trifluoromethyl)pyrazole;1-methyl-5-[[2-methyl-5-(2-phenyl-6H-1-benzothiophen-6-id-7-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(2-phenyl-6H-1-benzothiophen-6-id-7-yl)-1,2,4-triazole;pentakis(platinum(2+));1-[6-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]-3-[2-[1-[6-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]pyrazol-3-yl]propan-2-yl]pyrazole;1-[6-(trifluoromethyl)-3H-dibenzothiophen-3-id-4-yl]-3-[2-[1-[6-(trifluoromethyl)-3H-dibenzothiophen-3-id-4-yl]pyrazol-3-yl]propan-2-yl]pyrazole;4-(trifluoromethyl)-1-[6-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]-3-[2-[4-(trifluoromethyl)-1-[6-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]pyrazol-3-yl]propan-2-yl]pyrazole
CID 160343231
2-[3-[2-(9-Phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;2-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;2-[2-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 157357306
4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-cyclopentylurea;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-3-ylethanone;1-[3-(butylsulfonylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 158142421
Ethane;2-methyl-3-(2,4,5-trimethyl-1,2,4-triazol-4-ium-3-yl)pyridine;4-methyl-5-(2,4,5-trimethyl-1,2,4-triazol-4-ium-3-yl)pyrimidine;5-methyl-4-(2,4,5-trimethyl-1,2,4-triazol-4-ium-3-yl)pyrimidine;1,3,4-trimethyl-5-(3-methyldibenzofuran-2-yl)-1,2,4-triazol-4-ium;1,3,4-trimethyl-5-(3-methyldibenzothiophen-2-yl)-1,2,4-triazol-4-ium
CID 158245858
5-[3-[6-[3-[3,6-Bis(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]phenyl]-8-(4-phenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indole;2-[8-[[8-[3,5-bis(4-pyridin-2-yl-1,2,4-triazol-3-yl)phenyl]dibenzofuran-2-yl]methyl]dibenzofuran-2-yl]pyridine;2-[3-[1-methyl-8-[8-methyl-9-phenyl-6-[2-(1,3-thiazol-2-yl)phenyl]carbazol-1-yl]-9-phenylcarbazol-3-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[8-[8-[2-(1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazine
CID 158369532
3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 158412405
5-[3-[6-[3-[3,6-Bis(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]phenyl]-8-(4-phenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indole;2-[8-[[8-[3,5-bis(4-pyridin-2-yl-1,2,4-triazol-3-yl)phenyl]dibenzofuran-2-yl]methyl]dibenzofuran-2-yl]pyridine;2-[3-[1-methyl-8-[8-methyl-9-phenyl-6-[4-(1,3-thiazol-2-yl)-3-pyridinyl]carbazol-1-yl]-9-phenylcarbazol-3-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[8-[8-[2-(1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazine
CID 159002217
5-fluoro-3-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-(5-phenylfuran-2-yl)pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-(5-pyrrol-1-ylfuran-2-yl)pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-(4,5,6,7-tetrahydro-1-benzofuran-2-yl)pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-(5-thiophen-2-ylfuran-2-yl)pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine
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6-[4-[3,5-Di(dibenzofuran-4-yl)phenyl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;2-[4-(1,5-diphenylpyrazolo[5,1-a]isoquinolin-6-yl)phenyl]-2,7a-dihydro-1,3-benzothiazole;1,2,5-triphenyl-6-[4-(4-phenylphenyl)quinazolin-2-yl]pyrazolo[5,1-a]isoquinoline;1,2,5-triphenyl-6-[4-(4-phenylquinazolin-2-yl)phenyl]pyrazolo[5,1-a]isoquinoline;1,2,5-triphenyl-6-(4-phenylquinazolin-2-yl)pyrazolo[5,1-a]isoquinoline
CID 159333943
2-[2-[9-(3-Phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[2-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[3-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 159361065
8-[5-(1-benzofuran-2-yl)-4-methylpyrazol-1-yl]-7H-quinolin-7-ide;1-(3,6-dihydro-2H-1,4-benzodithiin-6-id-5-yl)-5-(2,4,6-trimethylphenyl)pyrazole;pentakis(iridium);2-methyl-3-(5-methylthiophen-2-yl)-7-[4-methyl-5-(2,4,6-trimethylphenyl)pyrazol-1-yl]-2,6-dihydro-1,3-benzoxazol-6-ide;2-propan-2-yl-4-[5-(2,4,6-trimethylphenyl)-1,2,4-triazol-1-yl]-5H-1,3-benzoxazol-5-ide;1-(2,3,4,7-tetrahydrochromen-7-id-8-yl)-5-(2,4,6-trimethylphenyl)pyrazole
CID 159480357
6-[4-[3,5-Di(dibenzofuran-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;6-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;2-[4-(1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-yl)phenyl]-2,7a-dihydro-1,3-benzothiazole
CID 159757824

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-benzothiophen-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3,5-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[(4-methylphenyl)methylsulfonyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-(1-benzofuran-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-benzothiophen-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3,5-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[(4-methylphenyl)methylsulfonyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 157240290) is 5-(1-benzofuran-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-benzothiophen-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3,5-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[(4-methylphenyl)methylsulfonyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-benzothiophen-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3,5-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[(4-methylphenyl)methylsulfonyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-(1-benzofuran-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-benzothiophen-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3,5-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[(4-methylphenyl)methylsulfonyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(C)cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)c1.Cc1ccc(CS(=O)(=O)n2cc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cn2)cc1.c1ccc2oc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cc2c1.c1ccc2sc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)cc2c1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-benzothiophen-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3,5-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[(4-methylphenyl)methylsulfonyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is AVCZVUZBYPAIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6O2S.C28H28N4O.C28H28N4S.C28H32N4/c1-24-9-11-27(12-10-24)23-40(38,39)36-22-28(21-32-36)29-7-4-8-31-33-30(34-37(29)31)20-26-15-13-25(14-16-26)6-5-19-35-17-2-3-18-35;2*1-2-10-25-23(8-1)20-26(33-25)24-9-5-11-28-29-27(30-32(24)28)19-22-14-12-21(13-15-22)7-6-18-31-16-3-4-17-31;1-21-17-22(2)19-25(18-21)26-8-5-9-28-29-27(30-32(26)28)20-24-12-10-23(11-13-24)7-6-16-31-14-3-4-15-31/h4,7-16,21-22H,2-3,5-6,17-20,23H2,1H3;2*1-2,5,8-15,20H,3-4,6-7,16-19H2;5,8-13,17-19H,3-4,6-7,14-16,20H2,1-2H3.
What are the key properties of 5-(1-benzofuran-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-benzothiophen-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3,5-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[(4-methylphenyl)methylsulfonyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
5-(1-benzofuran-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-benzothiophen-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3,5-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[(4-methylphenyl)methylsulfonyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 1868.50 g/mol, XLogP of 22.52, 31 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-benzothiophen-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3,5-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[(4-methylphenyl)methylsulfonyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 157240290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).