[3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]azetidin-1-yl]-(1-hydroxycyclopropyl)methanone

C24H21F2N7O3 — CID 90445857

IUPAC[3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]azetidin-1-yl]-(1-hydroxycyclopropyl)methanone
SMILESO=C(N1CC(Nc2nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc2F)C1)C1(O)CC1
InChIInChI=1S/C24H21F2N7O3/c25-16-4-2-1-3-14(16)11-33-20(18-5-8-36-31-18)9-19(30-33)22-27-10-17(26)21(29-22)28-15-12-32(13-15)23(34)24(35)6-7-24/h1-5,8-10,15,35H,6-7,11-13H2,(H,27,28,29)
InChIKeyYBEZLMHYYUBQHS-UHFFFAOYSA-N
MW493.47 g/mol
LogP2.47
Rot. Bonds7

About [3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]azetidin-1-yl]-(1-hydroxycyclopropyl)methanone

[3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]azetidin-1-yl]-(1-hydroxycyclopropyl)methanone (PubChem CID 90445857) has the molecular formula C24H21F2N7O3 and a molecular weight of 493.47 g/mol. Its IUPAC name is [3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]azetidin-1-yl]-(1-hydroxycyclopropyl)methanone.

Molecular Properties

Compound Name[3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]azetidin-1-yl]-(1-hydroxycyclopropyl)methanone
PubChem CID90445857
Molecular FormulaC24H21F2N7O3
Molecular Weight493.47 g/mol
Exact Mass493.17
IUPAC Name[3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]azetidin-1-yl]-(1-hydroxycyclopropyl)methanone
SMILESO=C(N1CC(Nc2nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc2F)C1)C1(O)CC1
InChIInChI=1S/C24H21F2N7O3/c25-16-4-2-1-3-14(16)11-33-20(18-5-8-36-31-18)9-19(30-33)22-27-10-17(26)21(29-22)28-15-12-32(13-15)23(34)24(35)6-7-24/h1-5,8-10,15,35H,6-7,11-13H2,(H,27,28,29)
InChIKeyYBEZLMHYYUBQHS-UHFFFAOYSA-N
XLogP2.47
TPSA122.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]azetidin-1-yl]-(1-hydroxycyclopropyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]azetidin-1-yl]-(1-hydroxycyclopropyl)methanone?
The IUPAC name of [3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]azetidin-1-yl]-(1-hydroxycyclopropyl)methanone (CID 90445857) is [3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]azetidin-1-yl]-(1-hydroxycyclopropyl)methanone.
What is the SMILES notation for [3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]azetidin-1-yl]-(1-hydroxycyclopropyl)methanone?
The canonical SMILES for [3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]azetidin-1-yl]-(1-hydroxycyclopropyl)methanone is O=C(N1CC(Nc2nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc2F)C1)C1(O)CC1.
What is the InChIKey of [3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]azetidin-1-yl]-(1-hydroxycyclopropyl)methanone?
The InChIKey is YBEZLMHYYUBQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N7O3/c25-16-4-2-1-3-14(16)11-33-20(18-5-8-36-31-18)9-19(30-33)22-27-10-17(26)21(29-22)28-15-12-32(13-15)23(34)24(35)6-7-24/h1-5,8-10,15,35H,6-7,11-13H2,(H,27,28,29).
What are the key properties of [3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]azetidin-1-yl]-(1-hydroxycyclopropyl)methanone?
[3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]azetidin-1-yl]-(1-hydroxycyclopropyl)methanone has a molecular weight of 493.47 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]azetidin-1-yl]-(1-hydroxycyclopropyl)methanone is sourced from PubChem (CID 90445857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).