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

C24H23ClFN7O2 — CID 146662021

IUPAC4-[2-[[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazine-2-carboxylic acid
SMILESO=C(O)C1CN(CCNc2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CCN1
InChIInChI=1S/C24H23ClFN7O2/c25-14-1-2-18(26)16(9-14)23-17(12-30-32-23)19-3-4-20-21(31-19)10-15(11-29-20)27-5-7-33-8-6-28-22(13-33)24(34)35/h1-4,9-12,22,27-28H,5-8,13H2,(H,30,32)(H,34,35)
InChIKeyAASBZTCWVAMPMY-UHFFFAOYSA-N
MW495.95 g/mol
LogP3.25
Rot. Bonds7

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

4-[2-[[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazine-2-carboxylic acid (PubChem CID 146662021) has the molecular formula C24H23ClFN7O2 and a molecular weight of 495.95 g/mol. Its IUPAC name is 4-[2-[[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-[[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazine-2-carboxylic acid
PubChem CID146662021
Molecular FormulaC24H23ClFN7O2
Molecular Weight495.95 g/mol
Exact Mass495.16
IUPAC Name4-[2-[[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazine-2-carboxylic acid
SMILESO=C(O)C1CN(CCNc2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CCN1
InChIInChI=1S/C24H23ClFN7O2/c25-14-1-2-18(26)16(9-14)23-17(12-30-32-23)19-3-4-20-21(31-19)10-15(11-29-20)27-5-7-33-8-6-28-22(13-33)24(34)35/h1-4,9-12,22,27-28H,5-8,13H2,(H,30,32)(H,34,35)
InChIKeyAASBZTCWVAMPMY-UHFFFAOYSA-N
XLogP3.25
TPSA119.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.95
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazine-2-carboxylic acid?
The IUPAC name of 4-[2-[[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazine-2-carboxylic acid (CID 146662021) is 4-[2-[[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazine-2-carboxylic acid.
What is the SMILES notation for 4-[2-[[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazine-2-carboxylic acid?
The canonical SMILES for 4-[2-[[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazine-2-carboxylic acid is O=C(O)C1CN(CCNc2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CCN1.
What is the InChIKey of 4-[2-[[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazine-2-carboxylic acid?
The InChIKey is AASBZTCWVAMPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN7O2/c25-14-1-2-18(26)16(9-14)23-17(12-30-32-23)19-3-4-20-21(31-19)10-15(11-29-20)27-5-7-33-8-6-28-22(13-33)24(34)35/h1-4,9-12,22,27-28H,5-8,13H2,(H,30,32)(H,34,35).
What are the key properties of 4-[2-[[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazine-2-carboxylic acid?
4-[2-[[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazine-2-carboxylic acid has a molecular weight of 495.95 g/mol, XLogP of 3.25, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 146662021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).