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

C82H72Cl3FN14O9 — CID 158883919

IUPAC6-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(6-chloro-1-ethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCCn1nc(C2=Cc3nccc(C(=O)O)c3C2)c2ccc(Cl)cc21.O=C(O)c1ccnc2c1CC(c1nn(CC3CC3)c3cc(Cl)ccc13)=C2.O=C(O)c1ccnc2c1CC(c1nn(CCN3CCCC3)c3ccc(Cl)cc13)=C2.O=C(O)c1ccnc2c1CC(c1nn(CCN3CCOCC3)c3ccc(F)cc13)=C2
InChIInChI=1S/C22H21ClN4O2.C22H21FN4O3.C20H16ClN3O2.C18H14ClN3O2/c23-15-3-4-20-18(13-15)21(25-27(20)10-9-26-7-1-2-8-26)14-11-17-16(22(28)29)5-6-24-19(17)12-14;23-15-1-2-20-18(13-15)21(25-27(20)6-5-26-7-9-30-10-8-26)14-11-17-16(22(28)29)3-4-24-19(17)12-14;21-13-3-4-15-18(9-13)24(10-11-1-2-11)23-19(15)12-7-16-14(20(25)26)5-6-22-17(16)8-12;1-2-22-16-9-11(19)3-4-13(16)17(21-22)10-7-14-12(18(23)24)5-6-20-15(14)8-10/h3-6,12-13H,1-2,7-11H2,(H,28,29);1-4,12-13H,5-11H2,(H,28,29);3-6,8-9,11H,1-2,7,10H2,(H,25,26);3-6,8-9H,2,7H2,1H3,(H,23,24)
InChIKeyJDJJMFMNXZPJMH-UHFFFAOYSA-N
MW1522.92 g/mol
LogP14.86
Rot. Bonds17

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

6-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(6-chloro-1-ethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 158883919) has the molecular formula C82H72Cl3FN14O9 and a molecular weight of 1522.92 g/mol. Its IUPAC name is 6-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(6-chloro-1-ethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(6-chloro-1-ethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID158883919
Molecular FormulaC82H72Cl3FN14O9
Molecular Weight1522.92 g/mol
Exact Mass1520.47
IUPAC Name6-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(6-chloro-1-ethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCCn1nc(C2=Cc3nccc(C(=O)O)c3C2)c2ccc(Cl)cc21.O=C(O)c1ccnc2c1CC(c1nn(CC3CC3)c3cc(Cl)ccc13)=C2.O=C(O)c1ccnc2c1CC(c1nn(CCN3CCCC3)c3ccc(Cl)cc13)=C2.O=C(O)c1ccnc2c1CC(c1nn(CCN3CCOCC3)c3ccc(F)cc13)=C2
InChIInChI=1S/C22H21ClN4O2.C22H21FN4O3.C20H16ClN3O2.C18H14ClN3O2/c23-15-3-4-20-18(13-15)21(25-27(20)10-9-26-7-1-2-8-26)14-11-17-16(22(28)29)5-6-24-19(17)12-14;23-15-1-2-20-18(13-15)21(25-27(20)6-5-26-7-9-30-10-8-26)14-11-17-16(22(28)29)3-4-24-19(17)12-14;21-13-3-4-15-18(9-13)24(10-11-1-2-11)23-19(15)12-7-16-14(20(25)26)5-6-22-17(16)8-12;1-2-22-16-9-11(19)3-4-13(16)17(21-22)10-7-14-12(18(23)24)5-6-20-15(14)8-10/h3-6,12-13H,1-2,7-11H2,(H,28,29);1-4,12-13H,5-11H2,(H,28,29);3-6,8-9,11H,1-2,7,10H2,(H,25,26);3-6,8-9H,2,7H2,1H3,(H,23,24)
InChIKeyJDJJMFMNXZPJMH-UHFFFAOYSA-N
XLogP14.86
TPSA287.75 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms109
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001522.92
LogP ≤ 514.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

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

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Frequently Asked Questions

What is the IUPAC name of 6-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(6-chloro-1-ethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(6-chloro-1-ethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 158883919) is 6-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(6-chloro-1-ethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(6-chloro-1-ethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(6-chloro-1-ethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is CCn1nc(C2=Cc3nccc(C(=O)O)c3C2)c2ccc(Cl)cc21.O=C(O)c1ccnc2c1CC(c1nn(CC3CC3)c3cc(Cl)ccc13)=C2.O=C(O)c1ccnc2c1CC(c1nn(CCN3CCCC3)c3ccc(Cl)cc13)=C2.O=C(O)c1ccnc2c1CC(c1nn(CCN3CCOCC3)c3ccc(F)cc13)=C2.
What is the InChIKey of 6-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(6-chloro-1-ethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is JDJJMFMNXZPJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2.C22H21FN4O3.C20H16ClN3O2.C18H14ClN3O2/c23-15-3-4-20-18(13-15)21(25-27(20)10-9-26-7-1-2-8-26)14-11-17-16(22(28)29)5-6-24-19(17)12-14;23-15-1-2-20-18(13-15)21(25-27(20)6-5-26-7-9-30-10-8-26)14-11-17-16(22(28)29)3-4-24-19(17)12-14;21-13-3-4-15-18(9-13)24(10-11-1-2-11)23-19(15)12-7-16-14(20(25)26)5-6-22-17(16)8-12;1-2-22-16-9-11(19)3-4-13(16)17(21-22)10-7-14-12(18(23)24)5-6-20-15(14)8-10/h3-6,12-13H,1-2,7-11H2,(H,28,29);1-4,12-13H,5-11H2,(H,28,29);3-6,8-9,11H,1-2,7,10H2,(H,25,26);3-6,8-9H,2,7H2,1H3,(H,23,24).
What are the key properties of 6-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(6-chloro-1-ethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
6-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(6-chloro-1-ethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 1522.92 g/mol, XLogP of 14.86, 17 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(6-chloro-1-ethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 158883919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).