azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone

C25H20F2N8O2 — CID 122521127

IUPACazetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone
SMILESCc1cc2c(F)c(Oc3ncnc(Nc4cc(-c5ccccn5)[nH]n4)c3C(=O)N3CCC3)cc(F)c2[nH]1
InChIInChI=1S/C25H20F2N8O2/c1-13-9-14-21(27)18(10-15(26)22(14)31-13)37-24-20(25(36)35-7-4-8-35)23(29-12-30-24)32-19-11-17(33-34-19)16-5-2-3-6-28-16/h2-3,5-6,9-12,31H,4,7-8H2,1H3,(H2,29,30,32,33,34)
InChIKeyHDQKKBOZALYDLY-UHFFFAOYSA-N
MW502.49 g/mol
LogP4.71
Rot. Bonds6

About azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone

azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone (PubChem CID 122521127) has the molecular formula C25H20F2N8O2 and a molecular weight of 502.49 g/mol. Its IUPAC name is azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone
PubChem CID122521127
Molecular FormulaC25H20F2N8O2
Molecular Weight502.49 g/mol
Exact Mass502.17
IUPAC Nameazetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone
SMILESCc1cc2c(F)c(Oc3ncnc(Nc4cc(-c5ccccn5)[nH]n4)c3C(=O)N3CCC3)cc(F)c2[nH]1
InChIInChI=1S/C25H20F2N8O2/c1-13-9-14-21(27)18(10-15(26)22(14)31-13)37-24-20(25(36)35-7-4-8-35)23(29-12-30-24)32-19-11-17(33-34-19)16-5-2-3-6-28-16/h2-3,5-6,9-12,31H,4,7-8H2,1H3,(H2,29,30,32,33,34)
InChIKeyHDQKKBOZALYDLY-UHFFFAOYSA-N
XLogP4.71
TPSA124.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.49
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone?
The IUPAC name of azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone (CID 122521127) is azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone?
The canonical SMILES for azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone is Cc1cc2c(F)c(Oc3ncnc(Nc4cc(-c5ccccn5)[nH]n4)c3C(=O)N3CCC3)cc(F)c2[nH]1.
What is the InChIKey of azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone?
The InChIKey is HDQKKBOZALYDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N8O2/c1-13-9-14-21(27)18(10-15(26)22(14)31-13)37-24-20(25(36)35-7-4-8-35)23(29-12-30-24)32-19-11-17(33-34-19)16-5-2-3-6-28-16/h2-3,5-6,9-12,31H,4,7-8H2,1H3,(H2,29,30,32,33,34).
What are the key properties of azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone?
azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone has a molecular weight of 502.49 g/mol, XLogP of 4.71, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 122521127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).