2-(2-aminoethyl)-7-[1-(4-chlorophenyl)cyclobutyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylic acid

C19H23ClN4O2 — CID 66863422

IUPAC2-(2-aminoethyl)-7-[1-(4-chlorophenyl)cyclobutyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylic acid
SMILESNCCn1cc2c(n1)C(C1(c3ccc(Cl)cc3)CCC1)N(C(=O)O)CC2
InChIInChI=1S/C19H23ClN4O2/c20-15-4-2-14(3-5-15)19(7-1-8-19)17-16-13(6-10-24(17)18(25)26)12-23(22-16)11-9-21/h2-5,12,17H,1,6-11,21H2,(H,25,26)
InChIKeyPBRKKRORFPPXHL-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.19
Rot. Bonds4

About 2-(2-aminoethyl)-7-[1-(4-chlorophenyl)cyclobutyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylic acid

2-(2-aminoethyl)-7-[1-(4-chlorophenyl)cyclobutyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylic acid (PubChem CID 66863422) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-(2-aminoethyl)-7-[1-(4-chlorophenyl)cyclobutyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminoethyl)-7-[1-(4-chlorophenyl)cyclobutyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylic acid
PubChem CID66863422
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name2-(2-aminoethyl)-7-[1-(4-chlorophenyl)cyclobutyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylic acid
SMILESNCCn1cc2c(n1)C(C1(c3ccc(Cl)cc3)CCC1)N(C(=O)O)CC2
InChIInChI=1S/C19H23ClN4O2/c20-15-4-2-14(3-5-15)19(7-1-8-19)17-16-13(6-10-24(17)18(25)26)12-23(22-16)11-9-21/h2-5,12,17H,1,6-11,21H2,(H,25,26)
InChIKeyPBRKKRORFPPXHL-UHFFFAOYSA-N
XLogP3.19
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-7-[1-(4-chlorophenyl)cyclobutyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylic acid?
The IUPAC name of 2-(2-aminoethyl)-7-[1-(4-chlorophenyl)cyclobutyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylic acid (CID 66863422) is 2-(2-aminoethyl)-7-[1-(4-chlorophenyl)cyclobutyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(2-aminoethyl)-7-[1-(4-chlorophenyl)cyclobutyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(2-aminoethyl)-7-[1-(4-chlorophenyl)cyclobutyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylic acid is NCCn1cc2c(n1)C(C1(c3ccc(Cl)cc3)CCC1)N(C(=O)O)CC2.
What is the InChIKey of 2-(2-aminoethyl)-7-[1-(4-chlorophenyl)cyclobutyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylic acid?
The InChIKey is PBRKKRORFPPXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c20-15-4-2-14(3-5-15)19(7-1-8-19)17-16-13(6-10-24(17)18(25)26)12-23(22-16)11-9-21/h2-5,12,17H,1,6-11,21H2,(H,25,26).
What are the key properties of 2-(2-aminoethyl)-7-[1-(4-chlorophenyl)cyclobutyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylic acid?
2-(2-aminoethyl)-7-[1-(4-chlorophenyl)cyclobutyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylic acid has a molecular weight of 374.87 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-7-[1-(4-chlorophenyl)cyclobutyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 66863422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).