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

C20H17F2N7O3 — CID 90446474

IUPAC3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F
InChIInChI=1S/C20H17F2N7O3/c21-12-4-2-1-3-11(12)10-29-16(14-5-6-32-28-14)7-15(27-29)20-24-8-13(22)19(26-20)25-9-17(30)18(23)31/h1-8,17,30H,9-10H2,(H2,23,31)(H,24,25,26)
InChIKeyUCGCJBUMMVZGQV-UHFFFAOYSA-N
MW441.40 g/mol
LogP1.58
Rot. Bonds8

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

3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-hydroxypropanamide (PubChem CID 90446474) has the molecular formula C20H17F2N7O3 and a molecular weight of 441.40 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]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-hydroxypropanamide
PubChem CID90446474
Molecular FormulaC20H17F2N7O3
Molecular Weight441.40 g/mol
Exact Mass441.14
IUPAC Name3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F
InChIInChI=1S/C20H17F2N7O3/c21-12-4-2-1-3-11(12)10-29-16(14-5-6-32-28-14)7-15(27-29)20-24-8-13(22)19(26-20)25-9-17(30)18(23)31/h1-8,17,30H,9-10H2,(H2,23,31)(H,24,25,26)
InChIKeyUCGCJBUMMVZGQV-UHFFFAOYSA-N
XLogP1.58
TPSA144.98 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.40
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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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]-2-hydroxypropanamide?
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]-2-hydroxypropanamide (CID 90446474) is 3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-hydroxypropanamide.
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]-2-hydroxypropanamide?
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]-2-hydroxypropanamide is NC(=O)C(O)CNc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F.
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]-2-hydroxypropanamide?
The InChIKey is UCGCJBUMMVZGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N7O3/c21-12-4-2-1-3-11(12)10-29-16(14-5-6-32-28-14)7-15(27-29)20-24-8-13(22)19(26-20)25-9-17(30)18(23)31/h1-8,17,30H,9-10H2,(H2,23,31)(H,24,25,26).
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]-2-hydroxypropanamide?
3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-hydroxypropanamide has a molecular weight of 441.40 g/mol, XLogP of 1.58, 8 rotatable bonds, 3 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]-2-hydroxypropanamide is sourced from PubChem (CID 90446474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).