ethyl 4-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]piperidine-1-carboxylate

C22H24FN5O2 — CID 22037410

IUPACethyl 4-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(-c3cn[nH]c3-c3ccc(F)cc3)ccn2)CC1
InChIInChI=1S/C22H24FN5O2/c1-2-30-22(29)28-11-8-18(9-12-28)26-20-13-16(7-10-24-20)19-14-25-27-21(19)15-3-5-17(23)6-4-15/h3-7,10,13-14,18H,2,8-9,11-12H2,1H3,(H,24,26)(H,25,27)
InChIKeyJWWGYBDAKZDFBG-UHFFFAOYSA-N
MW409.47 g/mol
LogP4.31
Rot. Bonds5

About ethyl 4-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]piperidine-1-carboxylate

ethyl 4-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]piperidine-1-carboxylate (PubChem CID 22037410) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is ethyl 4-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]piperidine-1-carboxylate
PubChem CID22037410
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Nameethyl 4-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(-c3cn[nH]c3-c3ccc(F)cc3)ccn2)CC1
InChIInChI=1S/C22H24FN5O2/c1-2-30-22(29)28-11-8-18(9-12-28)26-20-13-16(7-10-24-20)19-14-25-27-21(19)15-3-5-17(23)6-4-15/h3-7,10,13-14,18H,2,8-9,11-12H2,1H3,(H,24,26)(H,25,27)
InChIKeyJWWGYBDAKZDFBG-UHFFFAOYSA-N
XLogP4.31
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]piperidine-1-carboxylate (CID 22037410) is ethyl 4-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cc(-c3cn[nH]c3-c3ccc(F)cc3)ccn2)CC1.
What is the InChIKey of ethyl 4-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]piperidine-1-carboxylate?
The InChIKey is JWWGYBDAKZDFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-2-30-22(29)28-11-8-18(9-12-28)26-20-13-16(7-10-24-20)19-14-25-27-21(19)15-3-5-17(23)6-4-15/h3-7,10,13-14,18H,2,8-9,11-12H2,1H3,(H,24,26)(H,25,27).
What are the key properties of ethyl 4-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]piperidine-1-carboxylate?
ethyl 4-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]piperidine-1-carboxylate has a molecular weight of 409.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 22037410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).