(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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Related Compounds

CID 54670036
CID 54670036
CID 69602804
CID 69602804
CID 123465000
CID 123465000
CID 146661691
CID 146661691
CID 146661703
CID 146661703
CID 146661704
CID 146661704
CID 146661706
CID 146661706
CID 146661707
CID 146661707
CID 146661717
CID 146661717
CID 146661721
CID 146661721
CID 146661722
CID 146661722
CID 146661725
CID 146661725

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).