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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 54054995
CID 54054995
CID 54670033
CID 54670033
CID 54670036
CID 54670036
CID 57008055
CID 57008055
CID 70660022
CID 70660022
CID 123465000
CID 123465000
CID 146661691
CID 146661691
CID 146661697
CID 146661697
CID 146661703
CID 146661703
CID 146661704
CID 146661704
CID 146661706
CID 146661706
CID 146661707
CID 146661707

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).