1-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethanol

C22H24N6O2 — CID 70696384

IUPAC1-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethanol
SMILESCC(O)c1ccc2nc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)oc2c1
InChIInChI=1S/C22H24N6O2/c1-13(29)14-2-3-19-20(9-14)30-22(27-19)18-8-15(10-25-21(18)23)16-11-26-28(12-16)17-4-6-24-7-5-17/h2-3,8-13,17,24,29H,4-7H2,1H3,(H2,23,25)
InChIKeyHIEHNKSXPYUHNY-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.31
Rot. Bonds4

About 1-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethanol

1-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethanol (PubChem CID 70696384) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethanol.

Molecular Properties

Compound Name1-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethanol
PubChem CID70696384
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name1-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethanol
SMILESCC(O)c1ccc2nc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)oc2c1
InChIInChI=1S/C22H24N6O2/c1-13(29)14-2-3-19-20(9-14)30-22(27-19)18-8-15(10-25-21(18)23)16-11-26-28(12-16)17-4-6-24-7-5-17/h2-3,8-13,17,24,29H,4-7H2,1H3,(H2,23,25)
InChIKeyHIEHNKSXPYUHNY-UHFFFAOYSA-N
XLogP3.31
TPSA115.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethanol?
The IUPAC name of 1-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethanol (CID 70696384) is 1-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethanol.
What is the SMILES notation for 1-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethanol?
The canonical SMILES for 1-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethanol is CC(O)c1ccc2nc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)oc2c1.
What is the InChIKey of 1-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethanol?
The InChIKey is HIEHNKSXPYUHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-13(29)14-2-3-19-20(9-14)30-22(27-19)18-8-15(10-25-21(18)23)16-11-26-28(12-16)17-4-6-24-7-5-17/h2-3,8-13,17,24,29H,4-7H2,1H3,(H2,23,25).
What are the key properties of 1-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethanol?
1-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethanol has a molecular weight of 404.47 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]ethanol is sourced from PubChem (CID 70696384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).