(2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpiperazine-2-carboxylic acid

C23H20ClFN6O2 — CID 146661964

IUPAC(2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpiperazine-2-carboxylic acid
SMILESCN1CCN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)C[C@@H]1C(=O)O
InChIInChI=1S/C23H20ClFN6O2/c1-30-6-7-31(12-21(30)23(32)33)14-9-20-19(26-10-14)5-4-18(28-20)16-11-27-29-22(16)15-8-13(24)2-3-17(15)25/h2-5,8-11,21H,6-7,12H2,1H3,(H,27,29)(H,32,33)/t21-/m1/s1
InChIKeyGWKWBVGZICPOLJ-OAQYLSRUSA-N
MW466.90 g/mol
LogP3.68
Rot. Bonds4

About (2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpiperazine-2-carboxylic acid

(2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpiperazine-2-carboxylic acid (PubChem CID 146661964) has the molecular formula C23H20ClFN6O2 and a molecular weight of 466.90 g/mol. Its IUPAC name is (2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpiperazine-2-carboxylic acid
PubChem CID146661964
Molecular FormulaC23H20ClFN6O2
Molecular Weight466.90 g/mol
Exact Mass466.13
IUPAC Name(2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpiperazine-2-carboxylic acid
SMILESCN1CCN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)C[C@@H]1C(=O)O
InChIInChI=1S/C23H20ClFN6O2/c1-30-6-7-31(12-21(30)23(32)33)14-9-20-19(26-10-14)5-4-18(28-20)16-11-27-29-22(16)15-8-13(24)2-3-17(15)25/h2-5,8-11,21H,6-7,12H2,1H3,(H,27,29)(H,32,33)/t21-/m1/s1
InChIKeyGWKWBVGZICPOLJ-OAQYLSRUSA-N
XLogP3.68
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.90
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpiperazine-2-carboxylic acid?
The IUPAC name of (2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpiperazine-2-carboxylic acid (CID 146661964) is (2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpiperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpiperazine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpiperazine-2-carboxylic acid is CN1CCN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)C[C@@H]1C(=O)O.
What is the InChIKey of (2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpiperazine-2-carboxylic acid?
The InChIKey is GWKWBVGZICPOLJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H20ClFN6O2/c1-30-6-7-31(12-21(30)23(32)33)14-9-20-19(26-10-14)5-4-18(28-20)16-11-27-29-22(16)15-8-13(24)2-3-17(15)25/h2-5,8-11,21H,6-7,12H2,1H3,(H,27,29)(H,32,33)/t21-/m1/s1.
What are the key properties of (2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpiperazine-2-carboxylic acid?
(2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpiperazine-2-carboxylic acid has a molecular weight of 466.90 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpiperazine-2-carboxylic acid is sourced from PubChem (CID 146661964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).