8-(3,4-difluorophenyl)-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C23H23F2N7O — CID 58397984

IUPAC8-(3,4-difluorophenyl)-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCOc1cc(N2CCC(Nc3nc4c(-c5ccc(F)c(F)c5)cccn4n3)CC2)ncn1
InChIInChI=1S/C23H23F2N7O/c1-2-33-21-13-20(26-14-27-21)31-10-7-16(8-11-31)28-23-29-22-17(4-3-9-32(22)30-23)15-5-6-18(24)19(25)12-15/h3-6,9,12-14,16H,2,7-8,10-11H2,1H3,(H,28,30)
InChIKeyOKLOONDQQZSIQM-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.94
Rot. Bonds6

About 8-(3,4-difluorophenyl)-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(3,4-difluorophenyl)-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 58397984) has the molecular formula C23H23F2N7O and a molecular weight of 451.48 g/mol. Its IUPAC name is 8-(3,4-difluorophenyl)-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(3,4-difluorophenyl)-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID58397984
Molecular FormulaC23H23F2N7O
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC Name8-(3,4-difluorophenyl)-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCOc1cc(N2CCC(Nc3nc4c(-c5ccc(F)c(F)c5)cccn4n3)CC2)ncn1
InChIInChI=1S/C23H23F2N7O/c1-2-33-21-13-20(26-14-27-21)31-10-7-16(8-11-31)28-23-29-22-17(4-3-9-32(22)30-23)15-5-6-18(24)19(25)12-15/h3-6,9,12-14,16H,2,7-8,10-11H2,1H3,(H,28,30)
InChIKeyOKLOONDQQZSIQM-UHFFFAOYSA-N
XLogP3.94
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(3,4-difluorophenyl)-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(3,4-difluorophenyl)-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 58397984) is 8-(3,4-difluorophenyl)-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(3,4-difluorophenyl)-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(3,4-difluorophenyl)-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CCOc1cc(N2CCC(Nc3nc4c(-c5ccc(F)c(F)c5)cccn4n3)CC2)ncn1.
What is the InChIKey of 8-(3,4-difluorophenyl)-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is OKLOONDQQZSIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7O/c1-2-33-21-13-20(26-14-27-21)31-10-7-16(8-11-31)28-23-29-22-17(4-3-9-32(22)30-23)15-5-6-18(24)19(25)12-15/h3-6,9,12-14,16H,2,7-8,10-11H2,1H3,(H,28,30).
What are the key properties of 8-(3,4-difluorophenyl)-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(3,4-difluorophenyl)-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 451.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-difluorophenyl)-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 58397984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).