5-(1-piperidin-4-ylpyrazol-4-yl)-3-(6-pyrimidin-2-yloxy-1,3-benzoxazol-2-yl)pyridin-2-amine

C24H22N8O2 — CID 70690082

IUPAC5-(1-piperidin-4-ylpyrazol-4-yl)-3-(6-pyrimidin-2-yloxy-1,3-benzoxazol-2-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccc(Oc3ncccn3)cc2o1
InChIInChI=1S/C24H22N8O2/c25-22-19(10-15(12-29-22)16-13-30-32(14-16)17-4-8-26-9-5-17)23-31-20-3-2-18(11-21(20)34-23)33-24-27-6-1-7-28-24/h1-3,6-7,10-14,17,26H,4-5,8-9H2,(H2,25,29)
InChIKeyOMRUNZARHPTHDL-UHFFFAOYSA-N
MW454.49 g/mol
LogP3.84
Rot. Bonds5

About 5-(1-piperidin-4-ylpyrazol-4-yl)-3-(6-pyrimidin-2-yloxy-1,3-benzoxazol-2-yl)pyridin-2-amine

5-(1-piperidin-4-ylpyrazol-4-yl)-3-(6-pyrimidin-2-yloxy-1,3-benzoxazol-2-yl)pyridin-2-amine (PubChem CID 70690082) has the molecular formula C24H22N8O2 and a molecular weight of 454.49 g/mol. Its IUPAC name is 5-(1-piperidin-4-ylpyrazol-4-yl)-3-(6-pyrimidin-2-yloxy-1,3-benzoxazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(1-piperidin-4-ylpyrazol-4-yl)-3-(6-pyrimidin-2-yloxy-1,3-benzoxazol-2-yl)pyridin-2-amine
PubChem CID70690082
Molecular FormulaC24H22N8O2
Molecular Weight454.49 g/mol
Exact Mass454.19
IUPAC Name5-(1-piperidin-4-ylpyrazol-4-yl)-3-(6-pyrimidin-2-yloxy-1,3-benzoxazol-2-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccc(Oc3ncccn3)cc2o1
InChIInChI=1S/C24H22N8O2/c25-22-19(10-15(12-29-22)16-13-30-32(14-16)17-4-8-26-9-5-17)23-31-20-3-2-18(11-21(20)34-23)33-24-27-6-1-7-28-24/h1-3,6-7,10-14,17,26H,4-5,8-9H2,(H2,25,29)
InChIKeyOMRUNZARHPTHDL-UHFFFAOYSA-N
XLogP3.84
TPSA129.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

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CID 24780524
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CID 24780800
CID 24780958
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CID 42599603
CID 42599603
CID 44160137
CID 44160137
CID 44256053
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CID 44256165
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CID 44256167
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Frequently Asked Questions

What is the IUPAC name of 5-(1-piperidin-4-ylpyrazol-4-yl)-3-(6-pyrimidin-2-yloxy-1,3-benzoxazol-2-yl)pyridin-2-amine?
The IUPAC name of 5-(1-piperidin-4-ylpyrazol-4-yl)-3-(6-pyrimidin-2-yloxy-1,3-benzoxazol-2-yl)pyridin-2-amine (CID 70690082) is 5-(1-piperidin-4-ylpyrazol-4-yl)-3-(6-pyrimidin-2-yloxy-1,3-benzoxazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-(1-piperidin-4-ylpyrazol-4-yl)-3-(6-pyrimidin-2-yloxy-1,3-benzoxazol-2-yl)pyridin-2-amine?
The canonical SMILES for 5-(1-piperidin-4-ylpyrazol-4-yl)-3-(6-pyrimidin-2-yloxy-1,3-benzoxazol-2-yl)pyridin-2-amine is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccc(Oc3ncccn3)cc2o1.
What is the InChIKey of 5-(1-piperidin-4-ylpyrazol-4-yl)-3-(6-pyrimidin-2-yloxy-1,3-benzoxazol-2-yl)pyridin-2-amine?
The InChIKey is OMRUNZARHPTHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O2/c25-22-19(10-15(12-29-22)16-13-30-32(14-16)17-4-8-26-9-5-17)23-31-20-3-2-18(11-21(20)34-23)33-24-27-6-1-7-28-24/h1-3,6-7,10-14,17,26H,4-5,8-9H2,(H2,25,29).
What are the key properties of 5-(1-piperidin-4-ylpyrazol-4-yl)-3-(6-pyrimidin-2-yloxy-1,3-benzoxazol-2-yl)pyridin-2-amine?
5-(1-piperidin-4-ylpyrazol-4-yl)-3-(6-pyrimidin-2-yloxy-1,3-benzoxazol-2-yl)pyridin-2-amine has a molecular weight of 454.49 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-piperidin-4-ylpyrazol-4-yl)-3-(6-pyrimidin-2-yloxy-1,3-benzoxazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 70690082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).