4-[2-[(2-ethoxy-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide

C25H27FN8O2 — CID 86344723

IUPAC4-[2-[(2-ethoxy-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCCOc1ncccc1Nc1nc2ccc(N3CCN(C(=O)NCc4ccc(F)cc4)CC3)cn2n1
InChIInChI=1S/C25H27FN8O2/c1-2-36-23-21(4-3-11-27-23)29-24-30-22-10-9-20(17-34(22)31-24)32-12-14-33(15-13-32)25(35)28-16-18-5-7-19(26)8-6-18/h3-11,17H,2,12-16H2,1H3,(H,28,35)(H,29,31)
InChIKeyBRGPJCIXFJAUCK-UHFFFAOYSA-N
MW490.54 g/mol
LogP3.44
Rot. Bonds7

About 4-[2-[(2-ethoxy-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide

4-[2-[(2-ethoxy-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 86344723) has the molecular formula C25H27FN8O2 and a molecular weight of 490.54 g/mol. Its IUPAC name is 4-[2-[(2-ethoxy-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[(2-ethoxy-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
PubChem CID86344723
Molecular FormulaC25H27FN8O2
Molecular Weight490.54 g/mol
Exact Mass490.22
IUPAC Name4-[2-[(2-ethoxy-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCCOc1ncccc1Nc1nc2ccc(N3CCN(C(=O)NCc4ccc(F)cc4)CC3)cn2n1
InChIInChI=1S/C25H27FN8O2/c1-2-36-23-21(4-3-11-27-23)29-24-30-22-10-9-20(17-34(22)31-24)32-12-14-33(15-13-32)25(35)28-16-18-5-7-19(26)8-6-18/h3-11,17H,2,12-16H2,1H3,(H,28,35)(H,29,31)
InChIKeyBRGPJCIXFJAUCK-UHFFFAOYSA-N
XLogP3.44
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-ethoxy-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-[(2-ethoxy-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide (CID 86344723) is 4-[2-[(2-ethoxy-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-[(2-ethoxy-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-[(2-ethoxy-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide is CCOc1ncccc1Nc1nc2ccc(N3CCN(C(=O)NCc4ccc(F)cc4)CC3)cn2n1.
What is the InChIKey of 4-[2-[(2-ethoxy-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is BRGPJCIXFJAUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN8O2/c1-2-36-23-21(4-3-11-27-23)29-24-30-22-10-9-20(17-34(22)31-24)32-12-14-33(15-13-32)25(35)28-16-18-5-7-19(26)8-6-18/h3-11,17H,2,12-16H2,1H3,(H,28,35)(H,29,31).
What are the key properties of 4-[2-[(2-ethoxy-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
4-[2-[(2-ethoxy-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 490.54 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-ethoxy-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 86344723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).