1-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]cyclopentane-1-carboxylic acid

C23H21ClN2O2 — CID 126480545

IUPAC1-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]cyclopentane-1-carboxylic acid
SMILESNc1ncc(-c2ccc(C3(C(=O)O)CCCC3)cc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN2O2/c24-19-9-5-16(6-10-19)20-13-17(14-26-21(20)25)15-3-7-18(8-4-15)23(22(27)28)11-1-2-12-23/h3-10,13-14H,1-2,11-12H2,(H2,25,26)(H,27,28)
InChIKeyVHQILBJBMFWZGW-UHFFFAOYSA-N
MW392.89 g/mol
LogP5.55
Rot. Bonds4

About 1-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]cyclopentane-1-carboxylic acid

1-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]cyclopentane-1-carboxylic acid (PubChem CID 126480545) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 1-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]cyclopentane-1-carboxylic acid
PubChem CID126480545
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name1-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]cyclopentane-1-carboxylic acid
SMILESNc1ncc(-c2ccc(C3(C(=O)O)CCCC3)cc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN2O2/c24-19-9-5-16(6-10-19)20-13-17(14-26-21(20)25)15-3-7-18(8-4-15)23(22(27)28)11-1-2-12-23/h3-10,13-14H,1-2,11-12H2,(H2,25,26)(H,27,28)
InChIKeyVHQILBJBMFWZGW-UHFFFAOYSA-N
XLogP5.55
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]cyclopentane-1-carboxylic acid (CID 126480545) is 1-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]cyclopentane-1-carboxylic acid is Nc1ncc(-c2ccc(C3(C(=O)O)CCCC3)cc2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is VHQILBJBMFWZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c24-19-9-5-16(6-10-19)20-13-17(14-26-21(20)25)15-3-7-18(8-4-15)23(22(27)28)11-1-2-12-23/h3-10,13-14H,1-2,11-12H2,(H2,25,26)(H,27,28).
What are the key properties of 1-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]cyclopentane-1-carboxylic acid?
1-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 392.89 g/mol, XLogP of 5.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 126480545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).