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

C25H21FN8O2 — CID 122520649

IUPACazetidin-1-yl-[4-[(4-fluoro-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)ccc2[nH]1
InChIInChI=1S/C25H21FN8O2/c1-14-11-15-16(30-14)6-7-19(22(15)26)36-24-21(25(35)34-9-4-10-34)23(28-13-29-24)31-20-12-18(32-33-20)17-5-2-3-8-27-17/h2-3,5-8,11-13,30H,4,9-10H2,1H3,(H2,28,29,31,32,33)
InChIKeyZKCXODIFWAUPKG-UHFFFAOYSA-N
MW484.50 g/mol
LogP4.57
Rot. Bonds6

About azetidin-1-yl-[4-[(4-fluoro-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-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone (PubChem CID 122520649) has the molecular formula C25H21FN8O2 and a molecular weight of 484.50 g/mol. Its IUPAC name is azetidin-1-yl-[4-[(4-fluoro-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-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone
PubChem CID122520649
Molecular FormulaC25H21FN8O2
Molecular Weight484.50 g/mol
Exact Mass484.18
IUPAC Nameazetidin-1-yl-[4-[(4-fluoro-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)ccc2[nH]1
InChIInChI=1S/C25H21FN8O2/c1-14-11-15-16(30-14)6-7-19(22(15)26)36-24-21(25(35)34-9-4-10-34)23(28-13-29-24)31-20-12-18(32-33-20)17-5-2-3-8-27-17/h2-3,5-8,11-13,30H,4,9-10H2,1H3,(H2,28,29,31,32,33)
InChIKeyZKCXODIFWAUPKG-UHFFFAOYSA-N
XLogP4.57
TPSA124.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.50
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[4-[(4-fluoro-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-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone (CID 122520649) is azetidin-1-yl-[4-[(4-fluoro-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-fluoro-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-fluoro-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)ccc2[nH]1.
What is the InChIKey of azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone?
The InChIKey is ZKCXODIFWAUPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN8O2/c1-14-11-15-16(30-14)6-7-19(22(15)26)36-24-21(25(35)34-9-4-10-34)23(28-13-29-24)31-20-12-18(32-33-20)17-5-2-3-8-27-17/h2-3,5-8,11-13,30H,4,9-10H2,1H3,(H2,28,29,31,32,33).
What are the key properties of azetidin-1-yl-[4-[(4-fluoro-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-fluoro-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 484.50 g/mol, XLogP of 4.57, 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-fluoro-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 122520649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).