4-[5-[1-(oxolan-3-yl)pyrazol-4-yl]-3-pyridinyl]-2-propan-2-yloxybenzamide

C22H24N4O3 — CID 155516612

IUPAC4-[5-[1-(oxolan-3-yl)pyrazol-4-yl]-3-pyridinyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(-c2cncc(-c3cnn(C4CCOC4)c3)c2)ccc1C(N)=O
InChIInChI=1S/C22H24N4O3/c1-14(2)29-21-8-15(3-4-20(21)22(23)27)16-7-17(10-24-9-16)18-11-25-26(12-18)19-5-6-28-13-19/h3-4,7-12,14,19H,5-6,13H2,1-2H3,(H2,23,27)
InChIKeyKOGDOKSJNXRDBX-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.46
Rot. Bonds6

About 4-[5-[1-(oxolan-3-yl)pyrazol-4-yl]-3-pyridinyl]-2-propan-2-yloxybenzamide

4-[5-[1-(oxolan-3-yl)pyrazol-4-yl]-3-pyridinyl]-2-propan-2-yloxybenzamide (PubChem CID 155516612) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[5-[1-(oxolan-3-yl)pyrazol-4-yl]-3-pyridinyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name4-[5-[1-(oxolan-3-yl)pyrazol-4-yl]-3-pyridinyl]-2-propan-2-yloxybenzamide
PubChem CID155516612
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name4-[5-[1-(oxolan-3-yl)pyrazol-4-yl]-3-pyridinyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(-c2cncc(-c3cnn(C4CCOC4)c3)c2)ccc1C(N)=O
InChIInChI=1S/C22H24N4O3/c1-14(2)29-21-8-15(3-4-20(21)22(23)27)16-7-17(10-24-9-16)18-11-25-26(12-18)19-5-6-28-13-19/h3-4,7-12,14,19H,5-6,13H2,1-2H3,(H2,23,27)
InChIKeyKOGDOKSJNXRDBX-UHFFFAOYSA-N
XLogP3.46
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(oxolan-3-yl)pyrazol-4-yl]-3-pyridinyl]-2-propan-2-yloxybenzamide?
The IUPAC name of 4-[5-[1-(oxolan-3-yl)pyrazol-4-yl]-3-pyridinyl]-2-propan-2-yloxybenzamide (CID 155516612) is 4-[5-[1-(oxolan-3-yl)pyrazol-4-yl]-3-pyridinyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 4-[5-[1-(oxolan-3-yl)pyrazol-4-yl]-3-pyridinyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for 4-[5-[1-(oxolan-3-yl)pyrazol-4-yl]-3-pyridinyl]-2-propan-2-yloxybenzamide is CC(C)Oc1cc(-c2cncc(-c3cnn(C4CCOC4)c3)c2)ccc1C(N)=O.
What is the InChIKey of 4-[5-[1-(oxolan-3-yl)pyrazol-4-yl]-3-pyridinyl]-2-propan-2-yloxybenzamide?
The InChIKey is KOGDOKSJNXRDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14(2)29-21-8-15(3-4-20(21)22(23)27)16-7-17(10-24-9-16)18-11-25-26(12-18)19-5-6-28-13-19/h3-4,7-12,14,19H,5-6,13H2,1-2H3,(H2,23,27).
What are the key properties of 4-[5-[1-(oxolan-3-yl)pyrazol-4-yl]-3-pyridinyl]-2-propan-2-yloxybenzamide?
4-[5-[1-(oxolan-3-yl)pyrazol-4-yl]-3-pyridinyl]-2-propan-2-yloxybenzamide has a molecular weight of 392.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(oxolan-3-yl)pyrazol-4-yl]-3-pyridinyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 155516612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).