lithium;2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetic acid;methyl 2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetate;hydroxide;hydrate

C51H47Cl2F2LiN14O8 — CID 157480407

IUPAClithium;2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetic acid;methyl 2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetate;hydroxide;hydrate
SMILESCOC(=O)Cn1c(Cn2cc(C(=O)NCc3ncn4ccc(Cl)c(F)c34)nn2)cc2cc(C3CC3)ccc21.O.O=C(O)Cn1c(Cn2cc(C(=O)NCc3ncn4ccc(Cl)c(F)c34)nn2)cc2cc(C3CC3)ccc21.[Li+].[OH-]
InChIInChI=1S/C26H23ClFN7O3.C25H21ClFN7O3.Li.2H2O/c1-38-23(36)13-35-18(9-17-8-16(15-2-3-15)4-5-22(17)35)11-34-12-21(31-32-34)26(37)29-10-20-25-24(28)19(27)6-7-33(25)14-30-20;26-18-5-6-32-13-29-19(24(32)23(18)27)9-28-25(37)20-11-33(31-30-20)10-17-8-16-7-15(14-1-2-14)3-4-21(16)34(17)12-22(35)36;;;/h4-9,12,14-15H,2-3,10-11,13H2,1H3,(H,29,37);3-8,11,13-14H,1-2,9-10,12H2,(H,28,37)(H,35,36);;2*1H2/q;;+1;;/p-1
InChIKeyYHTVCNQAUGNFEC-UHFFFAOYSA-M
MW1099.87 g/mol
LogP3.32
Rot. Bonds16

About lithium;2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetic acid;methyl 2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetate;hydroxide;hydrate

lithium;2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetic acid;methyl 2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetate;hydroxide;hydrate (PubChem CID 157480407) has the molecular formula C51H47Cl2F2LiN14O8 and a molecular weight of 1099.87 g/mol. Its IUPAC name is lithium;2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetic acid;methyl 2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetate;hydroxide;hydrate.

Molecular Properties

Compound Namelithium;2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetic acid;methyl 2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetate;hydroxide;hydrate
PubChem CID157480407
Molecular FormulaC51H47Cl2F2LiN14O8
Molecular Weight1099.87 g/mol
Exact Mass1098.32
IUPAC Namelithium;2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetic acid;methyl 2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetate;hydroxide;hydrate
SMILESCOC(=O)Cn1c(Cn2cc(C(=O)NCc3ncn4ccc(Cl)c(F)c34)nn2)cc2cc(C3CC3)ccc21.O.O=C(O)Cn1c(Cn2cc(C(=O)NCc3ncn4ccc(Cl)c(F)c34)nn2)cc2cc(C3CC3)ccc21.[Li+].[OH-]
InChIInChI=1S/C26H23ClFN7O3.C25H21ClFN7O3.Li.2H2O/c1-38-23(36)13-35-18(9-17-8-16(15-2-3-15)4-5-22(17)35)11-34-12-21(31-32-34)26(37)29-10-20-25-24(28)19(27)6-7-33(25)14-30-20;26-18-5-6-32-13-29-19(24(32)23(18)27)9-28-25(37)20-11-33(31-30-20)10-17-8-16-7-15(14-1-2-14)3-4-21(16)34(17)12-22(35)36;;;/h4-9,12,14-15H,2-3,10-11,13H2,1H3,(H,29,37);3-8,11,13-14H,1-2,9-10,12H2,(H,28,37)(H,35,36);;2*1H2/q;;+1;;/p-1
InChIKeyYHTVCNQAUGNFEC-UHFFFAOYSA-M
XLogP3.32
TPSA289.18 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001099.87
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze lithium;2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetic acid;methyl 2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetate;hydroxide;hydrate with MolForge

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Related Compounds

2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxyacetic acid
CID 139487408
6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropyl-N-methylquinoline-8-carboxamide
CID 153343983
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
CID 153431040
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
CID 139488013
1-[[8-(2-aminoethoxymethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide
CID 139487545
lithium;3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid;ethyl 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoate;hydroxide
CID 160743456
3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-hydroxy-2,2-dimethylpropanoic acid
CID 139487275
methyl 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]azetidine-3-carboxylate
CID 139487530
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxamide
CID 139487736
3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one
CID 157183075
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;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;pyrrolidine
CID 158129301
(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride
CID 161123677

Frequently Asked Questions

What is the IUPAC name of lithium;2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetic acid;methyl 2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetate;hydroxide;hydrate?
The IUPAC name of lithium;2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetic acid;methyl 2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetate;hydroxide;hydrate (CID 157480407) is lithium;2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetic acid;methyl 2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetate;hydroxide;hydrate.
What is the SMILES notation for lithium;2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetic acid;methyl 2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetate;hydroxide;hydrate?
The canonical SMILES for lithium;2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetic acid;methyl 2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetate;hydroxide;hydrate is COC(=O)Cn1c(Cn2cc(C(=O)NCc3ncn4ccc(Cl)c(F)c34)nn2)cc2cc(C3CC3)ccc21.O.O=C(O)Cn1c(Cn2cc(C(=O)NCc3ncn4ccc(Cl)c(F)c34)nn2)cc2cc(C3CC3)ccc21.[Li+].[OH-].
What is the InChIKey of lithium;2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetic acid;methyl 2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetate;hydroxide;hydrate?
The InChIKey is YHTVCNQAUGNFEC-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H23ClFN7O3.C25H21ClFN7O3.Li.2H2O/c1-38-23(36)13-35-18(9-17-8-16(15-2-3-15)4-5-22(17)35)11-34-12-21(31-32-34)26(37)29-10-20-25-24(28)19(27)6-7-33(25)14-30-20;26-18-5-6-32-13-29-19(24(32)23(18)27)9-28-25(37)20-11-33(31-30-20)10-17-8-16-7-15(14-1-2-14)3-4-21(16)34(17)12-22(35)36;;;/h4-9,12,14-15H,2-3,10-11,13H2,1H3,(H,29,37);3-8,11,13-14H,1-2,9-10,12H2,(H,28,37)(H,35,36);;2*1H2/q;;+1;;/p-1.
What are the key properties of lithium;2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetic acid;methyl 2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetate;hydroxide;hydrate?
lithium;2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetic acid;methyl 2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetate;hydroxide;hydrate has a molecular weight of 1099.87 g/mol, XLogP of 3.32, 16 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetic acid;methyl 2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetate;hydroxide;hydrate is sourced from PubChem (CID 157480407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).