4-[2-(5-ethyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C24H20N8O — CID 90033748

IUPAC4-[2-(5-ethyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCCc1ccn2nc(C3CCN3c3ncnc4[nH]cc(C#N)c34)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C24H20N8O/c1-2-15-8-11-31-20(15)24(33)32(17-6-4-3-5-7-17)22(29-31)18-9-10-30(18)23-19-16(12-25)13-26-21(19)27-14-28-23/h3-8,11,13-14,18H,2,9-10H2,1H3,(H,26,27,28)
InChIKeyQLYPCHKRITWKFI-UHFFFAOYSA-N
MW436.48 g/mol
LogP3.14
Rot. Bonds4

About 4-[2-(5-ethyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-[2-(5-ethyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 90033748) has the molecular formula C24H20N8O and a molecular weight of 436.48 g/mol. Its IUPAC name is 4-[2-(5-ethyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[2-(5-ethyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID90033748
Molecular FormulaC24H20N8O
Molecular Weight436.48 g/mol
Exact Mass436.18
IUPAC Name4-[2-(5-ethyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCCc1ccn2nc(C3CCN3c3ncnc4[nH]cc(C#N)c34)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C24H20N8O/c1-2-15-8-11-31-20(15)24(33)32(17-6-4-3-5-7-17)22(29-31)18-9-10-30(18)23-19-16(12-25)13-26-21(19)27-14-28-23/h3-8,11,13-14,18H,2,9-10H2,1H3,(H,26,27,28)
InChIKeyQLYPCHKRITWKFI-UHFFFAOYSA-N
XLogP3.14
TPSA107.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[2-(5-ethyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-ethyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-[2-(5-ethyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 90033748) is 4-[2-(5-ethyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[2-(5-ethyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-[2-(5-ethyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is CCc1ccn2nc(C3CCN3c3ncnc4[nH]cc(C#N)c34)n(-c3ccccc3)c(=O)c12.
What is the InChIKey of 4-[2-(5-ethyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is QLYPCHKRITWKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O/c1-2-15-8-11-31-20(15)24(33)32(17-6-4-3-5-7-17)22(29-31)18-9-10-30(18)23-19-16(12-25)13-26-21(19)27-14-28-23/h3-8,11,13-14,18H,2,9-10H2,1H3,(H,26,27,28).
What are the key properties of 4-[2-(5-ethyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-[2-(5-ethyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 436.48 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-ethyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 90033748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).