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

C24H18FN7O2 — CID 68642211

IUPACN-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]benzamide
SMILESNc1nc(-c2cc(-c3ncco3)n(Cc3ccccc3F)n2)ncc1NC(=O)c1ccccc1
InChIInChI=1S/C24H18FN7O2/c25-17-9-5-4-8-16(17)14-32-20(24-27-10-11-34-24)12-18(31-32)22-28-13-19(21(26)30-22)29-23(33)15-6-2-1-3-7-15/h1-13H,14H2,(H,29,33)(H2,26,28,30)
InChIKeyLJQPZCIWTUZKDM-UHFFFAOYSA-N
MW455.45 g/mol
LogP4.02
Rot. Bonds6

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

N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]benzamide (PubChem CID 68642211) has the molecular formula C24H18FN7O2 and a molecular weight of 455.45 g/mol. Its IUPAC name is N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound NameN-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]benzamide
PubChem CID68642211
Molecular FormulaC24H18FN7O2
Molecular Weight455.45 g/mol
Exact Mass455.15
IUPAC NameN-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]benzamide
SMILESNc1nc(-c2cc(-c3ncco3)n(Cc3ccccc3F)n2)ncc1NC(=O)c1ccccc1
InChIInChI=1S/C24H18FN7O2/c25-17-9-5-4-8-16(17)14-32-20(24-27-10-11-34-24)12-18(31-32)22-28-13-19(21(26)30-22)29-23(33)15-6-2-1-3-7-15/h1-13H,14H2,(H,29,33)(H2,26,28,30)
InChIKeyLJQPZCIWTUZKDM-UHFFFAOYSA-N
XLogP4.02
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]benzamide?
The IUPAC name of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]benzamide (CID 68642211) is N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]benzamide.
What is the SMILES notation for N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]benzamide?
The canonical SMILES for N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]benzamide is Nc1nc(-c2cc(-c3ncco3)n(Cc3ccccc3F)n2)ncc1NC(=O)c1ccccc1.
What is the InChIKey of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]benzamide?
The InChIKey is LJQPZCIWTUZKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN7O2/c25-17-9-5-4-8-16(17)14-32-20(24-27-10-11-34-24)12-18(31-32)22-28-13-19(21(26)30-22)29-23(33)15-6-2-1-3-7-15/h1-13H,14H2,(H,29,33)(H2,26,28,30).
What are the key properties of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]benzamide?
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]benzamide has a molecular weight of 455.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 68642211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).