2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-ethyl-1,3-benzoxazol-7-ol

C22H24N6O2 — CID 72724978

IUPAC2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-ethyl-1,3-benzoxazol-7-ol
SMILESCCc1ccc2nc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)oc2c1O
InChIInChI=1S/C22H24N6O2/c1-2-13-3-4-18-20(19(13)29)30-22(27-18)17-9-14(10-25-21(17)23)15-11-26-28(12-15)16-5-7-24-8-6-16/h3-4,9-12,16,24,29H,2,5-8H2,1H3,(H2,23,25)
InChIKeyXECYRWNAQVMLFN-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.53
Rot. Bonds4

About 2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-ethyl-1,3-benzoxazol-7-ol

2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-ethyl-1,3-benzoxazol-7-ol (PubChem CID 72724978) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-ethyl-1,3-benzoxazol-7-ol.

Molecular Properties

Compound Name2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-ethyl-1,3-benzoxazol-7-ol
PubChem CID72724978
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-ethyl-1,3-benzoxazol-7-ol
SMILESCCc1ccc2nc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)oc2c1O
InChIInChI=1S/C22H24N6O2/c1-2-13-3-4-18-20(19(13)29)30-22(27-18)17-9-14(10-25-21(17)23)15-11-26-28(12-15)16-5-7-24-8-6-16/h3-4,9-12,16,24,29H,2,5-8H2,1H3,(H2,23,25)
InChIKeyXECYRWNAQVMLFN-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-ethyl-1,3-benzoxazol-7-ol?
The IUPAC name of 2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-ethyl-1,3-benzoxazol-7-ol (CID 72724978) is 2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-ethyl-1,3-benzoxazol-7-ol.
What is the SMILES notation for 2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-ethyl-1,3-benzoxazol-7-ol?
The canonical SMILES for 2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-ethyl-1,3-benzoxazol-7-ol is CCc1ccc2nc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)oc2c1O.
What is the InChIKey of 2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-ethyl-1,3-benzoxazol-7-ol?
The InChIKey is XECYRWNAQVMLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-2-13-3-4-18-20(19(13)29)30-22(27-18)17-9-14(10-25-21(17)23)15-11-26-28(12-15)16-5-7-24-8-6-16/h3-4,9-12,16,24,29H,2,5-8H2,1H3,(H2,23,25).
What are the key properties of 2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-ethyl-1,3-benzoxazol-7-ol?
2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-ethyl-1,3-benzoxazol-7-ol has a molecular weight of 404.47 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-ethyl-1,3-benzoxazol-7-ol is sourced from PubChem (CID 72724978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).