4-cyclopentyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid

C16H17N3O2 — CID 157037428

IUPAC4-cyclopentyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid
SMILESCn1cc2c(n1)c1cc(C(=O)O)ccc1n2C1CCCC1
InChIInChI=1S/C16H17N3O2/c1-18-9-14-15(17-18)12-8-10(16(20)21)6-7-13(12)19(14)11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H,20,21)
InChIKeyIJIIVTBDMHXAKX-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.34
Rot. Bonds2

About 4-cyclopentyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid

4-cyclopentyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid (PubChem CID 157037428) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-cyclopentyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid.

Molecular Properties

Compound Name4-cyclopentyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid
PubChem CID157037428
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-cyclopentyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid
SMILESCn1cc2c(n1)c1cc(C(=O)O)ccc1n2C1CCCC1
InChIInChI=1S/C16H17N3O2/c1-18-9-14-15(17-18)12-8-10(16(20)21)6-7-13(12)19(14)11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H,20,21)
InChIKeyIJIIVTBDMHXAKX-UHFFFAOYSA-N
XLogP3.34
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid?
The IUPAC name of 4-cyclopentyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid (CID 157037428) is 4-cyclopentyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid.
What is the SMILES notation for 4-cyclopentyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid?
The canonical SMILES for 4-cyclopentyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid is Cn1cc2c(n1)c1cc(C(=O)O)ccc1n2C1CCCC1.
What is the InChIKey of 4-cyclopentyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid?
The InChIKey is IJIIVTBDMHXAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-18-9-14-15(17-18)12-8-10(16(20)21)6-7-13(12)19(14)11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H,20,21).
What are the key properties of 4-cyclopentyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid?
4-cyclopentyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid is sourced from PubChem (CID 157037428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).