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

C22H21ClN4O2 — CID 147505195

IUPAC6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc2c1CC(c1c3cc(Cl)ccc3nn1CCN1CCCC1)=C2
InChIInChI=1S/C22H21ClN4O2/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/h3-6,12-13H,1-2,7-11H2,(H,28,29)
InChIKeyFIEQYYHVUKPGIS-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.98
Rot. Bonds5

About 6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-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 (PubChem CID 147505195) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID147505195
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc2c1CC(c1c3cc(Cl)ccc3nn1CCN1CCCC1)=C2
InChIInChI=1S/C22H21ClN4O2/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/h3-6,12-13H,1-2,7-11H2,(H,28,29)
InChIKeyFIEQYYHVUKPGIS-UHFFFAOYSA-N
XLogP3.98
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-(1-Ethyl-1h-Indol-3-Yl)-1-Methyl-1h-Pyrazole-5-Carboxylic Acid
CID 122164592
3-[(6-Chloro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoic acid
CID 60151013
6-[(6-Chloro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151147
6-[[6-Chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 68184172
1-[(5-Chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 72722417
1-[(5-Chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid
CID 72950604
1-[(5-Chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-propylpyrazole-3-carboxylic acid
CID 72950605
6-[[6-Chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 123463167
1-[[5-Chloro-2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 137632486
1-[[5-Chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 137634540
1-[(5-Chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-ethylpyrazole-3-carboxylic acid
CID 137638600
1-[[5-Chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 137642144

Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 147505195) is 6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is O=C(O)c1ccnc2c1CC(c1c3cc(Cl)ccc3nn1CCN1CCCC1)=C2.
What is the InChIKey of 6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is FIEQYYHVUKPGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/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/h3-6,12-13H,1-2,7-11H2,(H,28,29).
What are the key properties of 6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-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 has a molecular weight of 408.89 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-2-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 147505195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).