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

C26H23FN8O2 — CID 68642254

IUPACN-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-2-(dimethylamino)benzamide
SMILESCN(C)c1ccccc1C(=O)Nc1cnc(-c2cc(-c3ncco3)n(Cc3ccccc3F)n2)nc1N
InChIInChI=1S/C26H23FN8O2/c1-34(2)21-10-6-4-8-17(21)25(36)31-20-14-30-24(32-23(20)28)19-13-22(26-29-11-12-37-26)35(33-19)15-16-7-3-5-9-18(16)27/h3-14H,15H2,1-2H3,(H,31,36)(H2,28,30,32)
InChIKeyXDQOFEXRXZJIBX-UHFFFAOYSA-N
MW498.52 g/mol
LogP4.08
Rot. Bonds7

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

N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-2-(dimethylamino)benzamide (PubChem CID 68642254) has the molecular formula C26H23FN8O2 and a molecular weight of 498.52 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]-2-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-2-(dimethylamino)benzamide
PubChem CID68642254
Molecular FormulaC26H23FN8O2
Molecular Weight498.52 g/mol
Exact Mass498.19
IUPAC NameN-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-2-(dimethylamino)benzamide
SMILESCN(C)c1ccccc1C(=O)Nc1cnc(-c2cc(-c3ncco3)n(Cc3ccccc3F)n2)nc1N
InChIInChI=1S/C26H23FN8O2/c1-34(2)21-10-6-4-8-17(21)25(36)31-20-14-30-24(32-23(20)28)19-13-22(26-29-11-12-37-26)35(33-19)15-16-7-3-5-9-18(16)27/h3-14H,15H2,1-2H3,(H,31,36)(H2,28,30,32)
InChIKeyXDQOFEXRXZJIBX-UHFFFAOYSA-N
XLogP4.08
TPSA127.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.52
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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]-2-(dimethylamino)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]-2-(dimethylamino)benzamide (CID 68642254) is N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-2-(dimethylamino)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]-2-(dimethylamino)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]-2-(dimethylamino)benzamide is CN(C)c1ccccc1C(=O)Nc1cnc(-c2cc(-c3ncco3)n(Cc3ccccc3F)n2)nc1N.
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]-2-(dimethylamino)benzamide?
The InChIKey is XDQOFEXRXZJIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN8O2/c1-34(2)21-10-6-4-8-17(21)25(36)31-20-14-30-24(32-23(20)28)19-13-22(26-29-11-12-37-26)35(33-19)15-16-7-3-5-9-18(16)27/h3-14H,15H2,1-2H3,(H,31,36)(H2,28,30,32).
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]-2-(dimethylamino)benzamide?
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-2-(dimethylamino)benzamide has a molecular weight of 498.52 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 9 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]-2-(dimethylamino)benzamide is sourced from PubChem (CID 68642254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).