N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine-4-carboxamide

C22H19F2N7O3 — CID 90446501

IUPACN-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine-4-carboxamide
SMILESO=C(Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F)N1CCOCC1
InChIInChI=1S/C22H19F2N7O3/c23-15-4-2-1-3-14(15)13-31-19(17-5-8-34-29-17)11-18(28-31)21-25-12-16(24)20(26-21)27-22(32)30-6-9-33-10-7-30/h1-5,8,11-12H,6-7,9-10,13H2,(H,25,26,27,32)
InChIKeyMUMAYHKXVULMDR-UHFFFAOYSA-N
MW467.44 g/mol
LogP3.19
Rot. Bonds5

About N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine-4-carboxamide

N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine-4-carboxamide (PubChem CID 90446501) has the molecular formula C22H19F2N7O3 and a molecular weight of 467.44 g/mol. Its IUPAC name is N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine-4-carboxamide
PubChem CID90446501
Molecular FormulaC22H19F2N7O3
Molecular Weight467.44 g/mol
Exact Mass467.15
IUPAC NameN-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine-4-carboxamide
SMILESO=C(Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F)N1CCOCC1
InChIInChI=1S/C22H19F2N7O3/c23-15-4-2-1-3-14(15)13-31-19(17-5-8-34-29-17)11-18(28-31)21-25-12-16(24)20(26-21)27-22(32)30-6-9-33-10-7-30/h1-5,8,11-12H,6-7,9-10,13H2,(H,25,26,27,32)
InChIKeyMUMAYHKXVULMDR-UHFFFAOYSA-N
XLogP3.19
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine-4-carboxamide?
The IUPAC name of N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine-4-carboxamide (CID 90446501) is N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine-4-carboxamide is O=C(Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F)N1CCOCC1.
What is the InChIKey of N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine-4-carboxamide?
The InChIKey is MUMAYHKXVULMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N7O3/c23-15-4-2-1-3-14(15)13-31-19(17-5-8-34-29-17)11-18(28-31)21-25-12-16(24)20(26-21)27-22(32)30-6-9-33-10-7-30/h1-5,8,11-12H,6-7,9-10,13H2,(H,25,26,27,32).
What are the key properties of N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine-4-carboxamide?
N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine-4-carboxamide has a molecular weight of 467.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine-4-carboxamide is sourced from PubChem (CID 90446501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).