2-[1-(4-cyclopropyltriazol-1-yl)propan-2-yl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one

C22H26N6O2 — CID 53382935

IUPAC2-[1-(4-cyclopropyltriazol-1-yl)propan-2-yl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one
SMILESCC(C)c1cc(Cn2c3ccccc3c(=O)n2C(C)Cn2cc(C3CC3)nn2)on1
InChIInChI=1S/C22H26N6O2/c1-14(2)19-10-17(30-24-19)12-27-21-7-5-4-6-18(21)22(29)28(27)15(3)11-26-13-20(23-25-26)16-8-9-16/h4-7,10,13-16H,8-9,11-12H2,1-3H3
InChIKeyULGREZUOLBTCPZ-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.69
Rot. Bonds7

About 2-[1-(4-cyclopropyltriazol-1-yl)propan-2-yl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one

2-[1-(4-cyclopropyltriazol-1-yl)propan-2-yl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one (PubChem CID 53382935) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[1-(4-cyclopropyltriazol-1-yl)propan-2-yl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one.

Molecular Properties

Compound Name2-[1-(4-cyclopropyltriazol-1-yl)propan-2-yl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one
PubChem CID53382935
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name2-[1-(4-cyclopropyltriazol-1-yl)propan-2-yl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one
SMILESCC(C)c1cc(Cn2c3ccccc3c(=O)n2C(C)Cn2cc(C3CC3)nn2)on1
InChIInChI=1S/C22H26N6O2/c1-14(2)19-10-17(30-24-19)12-27-21-7-5-4-6-18(21)22(29)28(27)15(3)11-26-13-20(23-25-26)16-8-9-16/h4-7,10,13-16H,8-9,11-12H2,1-3H3
InChIKeyULGREZUOLBTCPZ-UHFFFAOYSA-N
XLogP3.69
TPSA83.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyclopropyltriazol-1-yl)propan-2-yl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one?
The IUPAC name of 2-[1-(4-cyclopropyltriazol-1-yl)propan-2-yl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one (CID 53382935) is 2-[1-(4-cyclopropyltriazol-1-yl)propan-2-yl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one.
What is the SMILES notation for 2-[1-(4-cyclopropyltriazol-1-yl)propan-2-yl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one?
The canonical SMILES for 2-[1-(4-cyclopropyltriazol-1-yl)propan-2-yl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one is CC(C)c1cc(Cn2c3ccccc3c(=O)n2C(C)Cn2cc(C3CC3)nn2)on1.
What is the InChIKey of 2-[1-(4-cyclopropyltriazol-1-yl)propan-2-yl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one?
The InChIKey is ULGREZUOLBTCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-14(2)19-10-17(30-24-19)12-27-21-7-5-4-6-18(21)22(29)28(27)15(3)11-26-13-20(23-25-26)16-8-9-16/h4-7,10,13-16H,8-9,11-12H2,1-3H3.
What are the key properties of 2-[1-(4-cyclopropyltriazol-1-yl)propan-2-yl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one?
2-[1-(4-cyclopropyltriazol-1-yl)propan-2-yl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one has a molecular weight of 406.49 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyclopropyltriazol-1-yl)propan-2-yl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one is sourced from PubChem (CID 53382935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).