4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]morpholine

C21H19FN6O2 — CID 134326216

IUPAC4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]morpholine
SMILESCOc1cccc(F)c1-c1ncc2[nH]nc(-c3ccc(N4CCOCC4)nc3)c2n1
InChIInChI=1S/C21H19FN6O2/c1-29-16-4-2-3-14(22)18(16)21-24-12-15-20(25-21)19(27-26-15)13-5-6-17(23-11-13)28-7-9-30-10-8-28/h2-6,11-12H,7-10H2,1H3,(H,26,27)
InChIKeyGVYDAAUEHWCLDM-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.07
Rot. Bonds4

About 4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]morpholine

4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]morpholine (PubChem CID 134326216) has the molecular formula C21H19FN6O2 and a molecular weight of 406.42 g/mol. Its IUPAC name is 4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]morpholine
PubChem CID134326216
Molecular FormulaC21H19FN6O2
Molecular Weight406.42 g/mol
Exact Mass406.16
IUPAC Name4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]morpholine
SMILESCOc1cccc(F)c1-c1ncc2[nH]nc(-c3ccc(N4CCOCC4)nc3)c2n1
InChIInChI=1S/C21H19FN6O2/c1-29-16-4-2-3-14(22)18(16)21-24-12-15-20(25-21)19(27-26-15)13-5-6-17(23-11-13)28-7-9-30-10-8-28/h2-6,11-12H,7-10H2,1H3,(H,26,27)
InChIKeyGVYDAAUEHWCLDM-UHFFFAOYSA-N
XLogP3.07
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]morpholine with MolForge

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Related Compounds

Migoprotafib
CID 139512018
Methyl substituted pyrazole, 27
CID 23648674
3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
AZ-Tak1
CID 71543324
2-(4-(2-(1H-imidazol-1-yl)ethoxy)phenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 10294883
7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
N-(2,4-difluorophenyl)-3-(2-methoxy-5-(3-(4-methylpiperazin-1-yl)prop-1-ynyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11634558
7-(2-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 54577892
(2S)-1-[4-[3-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]propan-2-ol
CID 57390669
[7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(4-morpholin-4-yl-phenyl)-amine
CID 57392473
(2S)-1-[4-[2-fluoro-4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]propan-2-ol
CID 57392475
(2S)-1-[4-[4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]propan-2-ol
CID 57394024

Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]morpholine (CID 134326216) is 4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]morpholine is COc1cccc(F)c1-c1ncc2[nH]nc(-c3ccc(N4CCOCC4)nc3)c2n1.
What is the InChIKey of 4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]morpholine?
The InChIKey is GVYDAAUEHWCLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O2/c1-29-16-4-2-3-14(22)18(16)21-24-12-15-20(25-21)19(27-26-15)13-5-6-17(23-11-13)28-7-9-30-10-8-28/h2-6,11-12H,7-10H2,1H3,(H,26,27).
What are the key properties of 4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]morpholine?
4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]morpholine has a molecular weight of 406.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 134326216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).