6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid

C23H16ClN3O3 — CID 147179976

IUPAC6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCn1nc2c(Oc3ccccc3Cl)cccc2c1C1=Cc2nccc(C(=O)O)c2C1
InChIInChI=1S/C23H16ClN3O3/c1-27-22(13-11-16-14(23(28)29)9-10-25-18(16)12-13)15-5-4-8-20(21(15)26-27)30-19-7-3-2-6-17(19)24/h2-10,12H,11H2,1H3,(H,28,29)
InChIKeyBZKFAAHWQGZSGX-UHFFFAOYSA-N
MW417.85 g/mol
LogP5.21
Rot. Bonds4

About 6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid

6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 147179976) has the molecular formula C23H16ClN3O3 and a molecular weight of 417.85 g/mol. Its IUPAC name is 6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID147179976
Molecular FormulaC23H16ClN3O3
Molecular Weight417.85 g/mol
Exact Mass417.09
IUPAC Name6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCn1nc2c(Oc3ccccc3Cl)cccc2c1C1=Cc2nccc(C(=O)O)c2C1
InChIInChI=1S/C23H16ClN3O3/c1-27-22(13-11-16-14(23(28)29)9-10-25-18(16)12-13)15-5-4-8-20(21(15)26-27)30-19-7-3-2-6-17(19)24/h2-10,12H,11H2,1H3,(H,28,29)
InChIKeyBZKFAAHWQGZSGX-UHFFFAOYSA-N
XLogP5.21
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.85
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Fluoro-NPB-22
CID 118796524
1-[[5-Chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 72950767
6-[[6-Chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 123512315
Npb-22
CID 118796435
3-[6-Chloro-2-methyl-1-(1-methylpyrazol-4-yl)indol-3-yl]oxybenzoic acid
CID 137645022
4-[1-[(2-Chloro-6-fluoro-3-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid
CID 73294700
US10954193, Example 112
CID 117929328
4-[1-[2-(2-Chloro-4-pyridin-3-ylphenoxy)ethyl]-5-ethoxy-4-fluoropyrazol-3-yl]benzoic acid
CID 69835300
2-[[5-Chloro-6-(2,2-difluoropropoxy)pyridin-3-yl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid
CID 142771167
6-[7-(3-fluorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 147100683
6-[2-methyl-5-(trifluoromethoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 148218736
6-[7-(4-fluorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 148994055

Frequently Asked Questions

What is the IUPAC name of 6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 147179976) is 6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is Cn1nc2c(Oc3ccccc3Cl)cccc2c1C1=Cc2nccc(C(=O)O)c2C1.
What is the InChIKey of 6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is BZKFAAHWQGZSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O3/c1-27-22(13-11-16-14(23(28)29)9-10-25-18(16)12-13)15-5-4-8-20(21(15)26-27)30-19-7-3-2-6-17(19)24/h2-10,12H,11H2,1H3,(H,28,29).
What are the key properties of 6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 417.85 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 147179976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).