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

C25H25ClFN7O2 — CID 151979952

IUPACmethyl (2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CCN1CCN
InChIInChI=1S/C25H25ClFN7O2/c1-36-25(35)23-14-34(9-8-33(23)7-6-28)16-11-22-21(29-12-16)5-4-20(31-22)18-13-30-32-24(18)17-10-15(26)2-3-19(17)27/h2-5,10-13,23H,6-9,14,28H2,1H3,(H,30,32)/t23-/m1/s1
InChIKeyUCLRRBFZJAETLS-HSZRJFAPSA-N
MW509.97 g/mol
LogP3.10
Rot. Bonds6

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

methyl (2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylate (PubChem CID 151979952) has the molecular formula C25H25ClFN7O2 and a molecular weight of 509.97 g/mol. Its IUPAC name is methyl (2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylate
PubChem CID151979952
Molecular FormulaC25H25ClFN7O2
Molecular Weight509.97 g/mol
Exact Mass509.17
IUPAC Namemethyl (2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CCN1CCN
InChIInChI=1S/C25H25ClFN7O2/c1-36-25(35)23-14-34(9-8-33(23)7-6-28)16-11-22-21(29-12-16)5-4-20(31-22)18-13-30-32-24(18)17-10-15(26)2-3-19(17)27/h2-5,10-13,23H,6-9,14,28H2,1H3,(H,30,32)/t23-/m1/s1
InChIKeyUCLRRBFZJAETLS-HSZRJFAPSA-N
XLogP3.10
TPSA113.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.97
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl (2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylate (CID 151979952) is methyl (2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylate is COC(=O)[C@H]1CN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CCN1CCN.
What is the InChIKey of methyl (2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylate?
The InChIKey is UCLRRBFZJAETLS-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H25ClFN7O2/c1-36-25(35)23-14-34(9-8-33(23)7-6-28)16-11-22-21(29-12-16)5-4-20(31-22)18-13-30-32-24(18)17-10-15(26)2-3-19(17)27/h2-5,10-13,23H,6-9,14,28H2,1H3,(H,30,32)/t23-/m1/s1.
What are the key properties of methyl (2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylate?
methyl (2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylate has a molecular weight of 509.97 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(2-aminoethyl)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylate is sourced from PubChem (CID 151979952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).