3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylbenzamide

C21H24N4O3 — CID 66829104

IUPAC3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)C1=CC=CC(=C1)C2=NNC3=C2C(=NC=C3)OC4CCOCC4
InChIInChI=1S/C21H24N4O3/c1-13(2)23-20(26)15-5-3-4-14(12-15)19-18-17(24-25-19)6-9-22-21(18)28-16-7-10-27-11-8-16/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyVMIQSCOZFCODSP-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.90
Rot. Bonds5

About 3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylbenzamide

3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylbenzamide (PubChem CID 66829104) has the molecular formula C21H24N4O3 and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylbenzamide
PubChem CID66829104
Molecular FormulaC21H24N4O3
Molecular Weight380.40 g/mol
Exact Mass380.18
IUPAC Name3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)C1=CC=CC(=C1)C2=NNC3=C2C(=NC=C3)OC4CCOCC4
InChIInChI=1S/C21H24N4O3/c1-13(2)23-20(26)15-5-3-4-14(12-15)19-18-17(24-25-19)6-9-22-21(18)28-16-7-10-27-11-8-16/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyVMIQSCOZFCODSP-UHFFFAOYSA-N
XLogP2.90
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity526

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylbenzamide (CID 66829104) is 3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylbenzamide is CC(C)NC(=O)C1=CC=CC(=C1)C2=NNC3=C2C(=NC=C3)OC4CCOCC4.
What is the InChIKey of 3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylbenzamide?
The InChIKey is VMIQSCOZFCODSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13(2)23-20(26)15-5-3-4-14(12-15)19-18-17(24-25-19)6-9-22-21(18)28-16-7-10-27-11-8-16/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylbenzamide?
3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylbenzamide has a molecular weight of 380.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 66829104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).