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

C24H23ClFN7O2 — CID 146661751

IUPAC(2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylic acid
SMILESNCCN1CCN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)C[C@@H]1C(=O)O
InChIInChI=1S/C24H23ClFN7O2/c25-14-1-2-18(26)16(9-14)23-17(12-29-31-23)19-3-4-20-21(30-19)10-15(11-28-20)33-8-7-32(6-5-27)22(13-33)24(34)35/h1-4,9-12,22H,5-8,13,27H2,(H,29,31)(H,34,35)/t22-/m1/s1
InChIKeyVQPQOTWOQXTWMV-JOCHJYFZSA-N
MW495.95 g/mol
LogP3.01
Rot. Bonds6

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

(2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylic acid (PubChem CID 146661751) has the molecular formula C24H23ClFN7O2 and a molecular weight of 495.95 g/mol. Its IUPAC name is (2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylic acid
PubChem CID146661751
Molecular FormulaC24H23ClFN7O2
Molecular Weight495.95 g/mol
Exact Mass495.16
IUPAC Name(2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylic acid
SMILESNCCN1CCN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)C[C@@H]1C(=O)O
InChIInChI=1S/C24H23ClFN7O2/c25-14-1-2-18(26)16(9-14)23-17(12-29-31-23)19-3-4-20-21(30-19)10-15(11-28-20)33-8-7-32(6-5-27)22(13-33)24(34)35/h1-4,9-12,22H,5-8,13,27H2,(H,29,31)(H,34,35)/t22-/m1/s1
InChIKeyVQPQOTWOQXTWMV-JOCHJYFZSA-N
XLogP3.01
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.95
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylic acid (CID 146661751) is (2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylic acid is NCCN1CCN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)C[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylic acid?
The InChIKey is VQPQOTWOQXTWMV-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H23ClFN7O2/c25-14-1-2-18(26)16(9-14)23-17(12-29-31-23)19-3-4-20-21(30-19)10-15(11-28-20)33-8-7-32(6-5-27)22(13-33)24(34)35/h1-4,9-12,22H,5-8,13,27H2,(H,29,31)(H,34,35)/t22-/m1/s1.
What are the key properties of (2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylic acid?
(2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylic acid has a molecular weight of 495.95 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylic acid is sourced from PubChem (CID 146661751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).