2-[4-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide

C24H28N6O2 — CID 167585624

IUPAC2-[4-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
SMILESCC(C)c1cc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C)no3)cc2)c2c(N)ncnn12
InChIInChI=1S/C24H28N6O2/c1-14(2)18-11-17(22-23(25)26-13-27-30(18)22)16-8-6-15(7-9-16)10-20(31)28-21-12-19(29-32-21)24(3,4)5/h6-9,11-14H,10H2,1-5H3,(H,28,31)(H2,25,26,27)
InChIKeyASEABFHAHUXWPX-UHFFFAOYSA-N
MW432.53 g/mol
LogP4.57
Rot. Bonds5

About 2-[4-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide

2-[4-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide (PubChem CID 167585624) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-[4-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
PubChem CID167585624
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name2-[4-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
SMILESCC(C)c1cc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C)no3)cc2)c2c(N)ncnn12
InChIInChI=1S/C24H28N6O2/c1-14(2)18-11-17(22-23(25)26-13-27-30(18)22)16-8-6-15(7-9-16)10-20(31)28-21-12-19(29-32-21)24(3,4)5/h6-9,11-14H,10H2,1-5H3,(H,28,31)(H2,25,26,27)
InChIKeyASEABFHAHUXWPX-UHFFFAOYSA-N
XLogP4.57
TPSA111.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[4-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide (CID 167585624) is 2-[4-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[4-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide is CC(C)c1cc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C)no3)cc2)c2c(N)ncnn12.
What is the InChIKey of 2-[4-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is ASEABFHAHUXWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-14(2)18-11-17(22-23(25)26-13-27-30(18)22)16-8-6-15(7-9-16)10-20(31)28-21-12-19(29-32-21)24(3,4)5/h6-9,11-14H,10H2,1-5H3,(H,28,31)(H2,25,26,27).
What are the key properties of 2-[4-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide?
2-[4-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 432.53 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 167585624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).