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

C24H19F2N7O3 — CID 122521095

IUPACazetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone
SMILESCc1cc2c(F)c(Oc3ncnc(Nc4cc(-c5ccco5)[nH]n4)c3C(=O)N3CCC3)cc(F)c2[nH]1
InChIInChI=1S/C24H19F2N7O3/c1-12-8-13-20(26)17(9-14(25)21(13)29-12)36-23-19(24(34)33-5-3-6-33)22(27-11-28-23)30-18-10-15(31-32-18)16-4-2-7-35-16/h2,4,7-11,29H,3,5-6H2,1H3,(H2,27,28,30,31,32)
InChIKeyPFOCGWONCADUAG-UHFFFAOYSA-N
MW491.46 g/mol
LogP4.91
Rot. Bonds6

About azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-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-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone (PubChem CID 122521095) has the molecular formula C24H19F2N7O3 and a molecular weight of 491.46 g/mol. Its IUPAC name is azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-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-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone
PubChem CID122521095
Molecular FormulaC24H19F2N7O3
Molecular Weight491.46 g/mol
Exact Mass491.15
IUPAC Nameazetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone
SMILESCc1cc2c(F)c(Oc3ncnc(Nc4cc(-c5ccco5)[nH]n4)c3C(=O)N3CCC3)cc(F)c2[nH]1
InChIInChI=1S/C24H19F2N7O3/c1-12-8-13-20(26)17(9-14(25)21(13)29-12)36-23-19(24(34)33-5-3-6-33)22(27-11-28-23)30-18-10-15(31-32-18)16-4-2-7-35-16/h2,4,7-11,29H,3,5-6H2,1H3,(H2,27,28,30,31,32)
InChIKeyPFOCGWONCADUAG-UHFFFAOYSA-N
XLogP4.91
TPSA124.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.46
LogP ≤ 54.91
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-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone with MolForge

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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-(furan-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-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone (CID 122521095) is azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-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-(furan-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-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone is Cc1cc2c(F)c(Oc3ncnc(Nc4cc(-c5ccco5)[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-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone?
The InChIKey is PFOCGWONCADUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N7O3/c1-12-8-13-20(26)17(9-14(25)21(13)29-12)36-23-19(24(34)33-5-3-6-33)22(27-11-28-23)30-18-10-15(31-32-18)16-4-2-7-35-16/h2,4,7-11,29H,3,5-6H2,1H3,(H2,27,28,30,31,32).
What are the key properties of azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-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-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone has a molecular weight of 491.46 g/mol, XLogP of 4.91, 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-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 122521095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).