3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanenitrile

C52H47Cl2N19O2 — CID 157458257

IUPAC3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanenitrile
SMILESN#CCCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)nn3)nc12.O=C(CCc1ncn2ccc(Cl)cc12)c1cn(Cc2cn3cc(C4CC4)cc(CCc4nn[nH]n4)c3n2)nn1
InChIInChI=1S/C26H24ClN11O.C26H23ClN8O/c27-19-7-8-36-15-28-21(23(36)10-19)4-5-24(39)22-14-38(35-30-22)13-20-12-37-11-18(16-1-2-16)9-17(26(37)29-20)3-6-25-31-33-34-32-25;27-20-7-9-33-16-29-22(24(33)11-20)5-6-25(36)23-15-35(32-31-23)14-21-13-34-12-19(17-3-4-17)10-18(2-1-8-28)26(34)30-21/h7-12,14-16H,1-6,13H2,(H,31,32,33,34);7,9-13,15-17H,1-6,14H2
InChIKeyBTPSLXUQJKMWSS-UHFFFAOYSA-N
MW1040.98 g/mol
LogP7.69
Rot. Bonds19

About 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanenitrile

3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanenitrile (PubChem CID 157458257) has the molecular formula C52H47Cl2N19O2 and a molecular weight of 1040.98 g/mol. Its IUPAC name is 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanenitrile.

Molecular Properties

Compound Name3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanenitrile
PubChem CID157458257
Molecular FormulaC52H47Cl2N19O2
Molecular Weight1040.98 g/mol
Exact Mass1039.35
IUPAC Name3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanenitrile
SMILESN#CCCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)nn3)nc12.O=C(CCc1ncn2ccc(Cl)cc12)c1cn(Cc2cn3cc(C4CC4)cc(CCc4nn[nH]n4)c3n2)nn1
InChIInChI=1S/C26H24ClN11O.C26H23ClN8O/c27-19-7-8-36-15-28-21(23(36)10-19)4-5-24(39)22-14-38(35-30-22)13-20-12-37-11-18(16-1-2-16)9-17(26(37)29-20)3-6-25-31-33-34-32-25;27-20-7-9-33-16-29-22(24(33)11-20)5-6-25(36)23-15-35(32-31-23)14-21-13-34-12-19(17-3-4-17)10-18(2-1-8-28)26(34)30-21/h7-12,14-16H,1-6,13H2,(H,31,32,33,34);7,9-13,15-17H,1-6,14H2
InChIKeyBTPSLXUQJKMWSS-UHFFFAOYSA-N
XLogP7.69
TPSA243.01 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001040.98
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanenitrile with MolForge

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Related Compounds

N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
CID 139487959
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2H-triazole-4-carboxamide
CID 139490439
3-(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
CID 157298740
3-(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(7-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazol-4-yl]propan-1-one
CID 157993057
1-[1-[[8-(Aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;2-methyloxirane
CID 161171277
2-[[4-[3-(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile
CID 157068975
3-(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one
CID 157151773
3-(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one
CID 157224689
3-(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[8-(chloromethyl)-6-cyclopropylimidazo[1,2-b]pyridazin-2-yl]methyl]triazol-4-yl]propan-1-one
CID 157793360
3-(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one
CID 158609139
3-(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]triazol-4-yl]propan-1-one
CID 158866880
3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one
CID 158929165

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanenitrile?
The IUPAC name of 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanenitrile (CID 157458257) is 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanenitrile.
What is the SMILES notation for 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanenitrile?
The canonical SMILES for 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanenitrile is N#CCCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)nn3)nc12.O=C(CCc1ncn2ccc(Cl)cc12)c1cn(Cc2cn3cc(C4CC4)cc(CCc4nn[nH]n4)c3n2)nn1.
What is the InChIKey of 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanenitrile?
The InChIKey is BTPSLXUQJKMWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN11O.C26H23ClN8O/c27-19-7-8-36-15-28-21(23(36)10-19)4-5-24(39)22-14-38(35-30-22)13-20-12-37-11-18(16-1-2-16)9-17(26(37)29-20)3-6-25-31-33-34-32-25;27-20-7-9-33-16-29-22(24(33)11-20)5-6-25(36)23-15-35(32-31-23)14-21-13-34-12-19(17-3-4-17)10-18(2-1-8-28)26(34)30-21/h7-12,14-16H,1-6,13H2,(H,31,32,33,34);7,9-13,15-17H,1-6,14H2.
What are the key properties of 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanenitrile?
3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanenitrile has a molecular weight of 1040.98 g/mol, XLogP of 7.69, 19 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanenitrile is sourced from PubChem (CID 157458257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).