6-(5-chloro-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-(cyclopropylmethyl)-6-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2-ethyl-6-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid

C79H69Cl2N13O8 — CID 158797695

IUPAC6-(5-chloro-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-(cyclopropylmethyl)-6-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2-ethyl-6-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCCn1nc2cc(C)ccc2c1C1=Cc2nccc(C(=O)O)c2C1.Cc1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(CC3CC3)nc2c1.Cn1nc2ccc(Cl)cc2c1C1=Cc2nccc(C(=O)O)c2C1.O=C(O)c1ccnc2c1CC(c1c3cc(Cl)ccc3nn1CCN1CCCC1)=C2
InChIInChI=1S/C22H21ClN4O2.C21H19N3O2.C19H17N3O2.C17H12ClN3O2/c23-15-3-4-19-18(13-15)21(27(25-19)10-9-26-7-1-2-8-26)14-11-17-16(22(28)29)5-6-24-20(17)12-14;1-12-2-5-16-19(8-12)23-24(11-13-3-4-13)20(16)14-9-17-15(21(25)26)6-7-22-18(17)10-14;1-3-22-18(14-5-4-11(2)8-17(14)21-22)12-9-15-13(19(23)24)6-7-20-16(15)10-12;1-21-16(13-8-10(18)2-3-14(13)20-21)9-6-12-11(17(22)23)4-5-19-15(12)7-9/h3-6,12-13H,1-2,7-11H2,(H,28,29);2,5-8,10,13H,3-4,9,11H2,1H3,(H,25,26);4-8,10H,3,9H2,1-2H3,(H,23,24);2-5,7-8H,6H2,1H3,(H,22,23)
InChIKeyITBKQTKQCLGTLK-UHFFFAOYSA-N
MW1399.41 g/mol
LogP14.89
Rot. Bonds14

About 6-(5-chloro-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-(cyclopropylmethyl)-6-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2-ethyl-6-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid

6-(5-chloro-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-(cyclopropylmethyl)-6-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2-ethyl-6-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 158797695) has the molecular formula C79H69Cl2N13O8 and a molecular weight of 1399.41 g/mol. Its IUPAC name is 6-(5-chloro-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-(cyclopropylmethyl)-6-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2-ethyl-6-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(5-chloro-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-(cyclopropylmethyl)-6-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2-ethyl-6-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID158797695
Molecular FormulaC79H69Cl2N13O8
Molecular Weight1399.41 g/mol
Exact Mass1397.48
IUPAC Name6-(5-chloro-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-(cyclopropylmethyl)-6-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2-ethyl-6-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCCn1nc2cc(C)ccc2c1C1=Cc2nccc(C(=O)O)c2C1.Cc1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(CC3CC3)nc2c1.Cn1nc2ccc(Cl)cc2c1C1=Cc2nccc(C(=O)O)c2C1.O=C(O)c1ccnc2c1CC(c1c3cc(Cl)ccc3nn1CCN1CCCC1)=C2
InChIInChI=1S/C22H21ClN4O2.C21H19N3O2.C19H17N3O2.C17H12ClN3O2/c23-15-3-4-19-18(13-15)21(27(25-19)10-9-26-7-1-2-8-26)14-11-17-16(22(28)29)5-6-24-20(17)12-14;1-12-2-5-16-19(8-12)23-24(11-13-3-4-13)20(16)14-9-17-15(21(25)26)6-7-22-18(17)10-14;1-3-22-18(14-5-4-11(2)8-17(14)21-22)12-9-15-13(19(23)24)6-7-20-16(15)10-12;1-21-16(13-8-10(18)2-3-14(13)20-21)9-6-12-11(17(22)23)4-5-19-15(12)7-9/h3-6,12-13H,1-2,7-11H2,(H,28,29);2,5-8,10,13H,3-4,9,11H2,1H3,(H,25,26);4-8,10H,3,9H2,1-2H3,(H,23,24);2-5,7-8H,6H2,1H3,(H,22,23)
InChIKeyITBKQTKQCLGTLK-UHFFFAOYSA-N
XLogP14.89
TPSA275.28 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001399.41
LogP ≤ 514.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 6-(5-chloro-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-(cyclopropylmethyl)-6-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2-ethyl-6-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid with MolForge

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Related Compounds

3-[(1-Butyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 158141703
3-[(5-Chloro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-cyclopropylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid)
CID 158490027
3-[(1-Butyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 159548122
3-[[5-Chloro-1-(cyclopropylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 160197677
3-[[5-Chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 160766852
3-[[5-Chloro-1-(cyclopropylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-chloro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 160871870
3-[[5-Chloro-1-(cyclohexylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-(2-cyclopentylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclohexylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(2-cyclopentylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-cyclopropyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-ethynyl-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-ethynyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 160890382
3-[(5-Chloro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(cyclobutylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-cyclopentyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopentylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(2-cyclopropylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 161264364
3-[(1-Butyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[4-(dimethylamino)butyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 161729963
3-[[5-Chloro-1-(cyclopropylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-chloro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopentylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(2-cyclopropylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 161928177
Tetrakis(1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid);bis(4-pyridin-4-ylpyridine)
CID 139203443
6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 147505195

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-(cyclopropylmethyl)-6-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2-ethyl-6-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(5-chloro-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-(cyclopropylmethyl)-6-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2-ethyl-6-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 158797695) is 6-(5-chloro-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-(cyclopropylmethyl)-6-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2-ethyl-6-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(5-chloro-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-(cyclopropylmethyl)-6-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2-ethyl-6-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(5-chloro-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-(cyclopropylmethyl)-6-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2-ethyl-6-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid is CCn1nc2cc(C)ccc2c1C1=Cc2nccc(C(=O)O)c2C1.Cc1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(CC3CC3)nc2c1.Cn1nc2ccc(Cl)cc2c1C1=Cc2nccc(C(=O)O)c2C1.O=C(O)c1ccnc2c1CC(c1c3cc(Cl)ccc3nn1CCN1CCCC1)=C2.
What is the InChIKey of 6-(5-chloro-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-(cyclopropylmethyl)-6-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2-ethyl-6-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is ITBKQTKQCLGTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2.C21H19N3O2.C19H17N3O2.C17H12ClN3O2/c23-15-3-4-19-18(13-15)21(27(25-19)10-9-26-7-1-2-8-26)14-11-17-16(22(28)29)5-6-24-20(17)12-14;1-12-2-5-16-19(8-12)23-24(11-13-3-4-13)20(16)14-9-17-15(21(25)26)6-7-22-18(17)10-14;1-3-22-18(14-5-4-11(2)8-17(14)21-22)12-9-15-13(19(23)24)6-7-20-16(15)10-12;1-21-16(13-8-10(18)2-3-14(13)20-21)9-6-12-11(17(22)23)4-5-19-15(12)7-9/h3-6,12-13H,1-2,7-11H2,(H,28,29);2,5-8,10,13H,3-4,9,11H2,1H3,(H,25,26);4-8,10H,3,9H2,1-2H3,(H,23,24);2-5,7-8H,6H2,1H3,(H,22,23).
What are the key properties of 6-(5-chloro-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-(cyclopropylmethyl)-6-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2-ethyl-6-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid?
6-(5-chloro-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-(cyclopropylmethyl)-6-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2-ethyl-6-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 1399.41 g/mol, XLogP of 14.89, 14 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-(cyclopropylmethyl)-6-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2-ethyl-6-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 158797695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).