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

C25H20FN7O3 — CID 68642295

IUPACN-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cnc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)nc2N)c1
InChIInChI=1S/C25H20FN7O3/c1-35-17-7-4-6-15(11-17)25(34)29-21-13-28-24(30-23(21)27)20-12-22(19-9-10-36-32-19)33(31-20)14-16-5-2-3-8-18(16)26/h2-13H,14H2,1H3,(H,29,34)(H2,27,28,30)
InChIKeyOOXLQAVYTWVXPI-UHFFFAOYSA-N
MW485.48 g/mol
LogP4.03
Rot. Bonds7

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

N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-3-methoxybenzamide (PubChem CID 68642295) has the molecular formula C25H20FN7O3 and a molecular weight of 485.48 g/mol. Its IUPAC name is N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-3-methoxybenzamide
PubChem CID68642295
Molecular FormulaC25H20FN7O3
Molecular Weight485.48 g/mol
Exact Mass485.16
IUPAC NameN-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cnc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)nc2N)c1
InChIInChI=1S/C25H20FN7O3/c1-35-17-7-4-6-15(11-17)25(34)29-21-13-28-24(30-23(21)27)20-12-22(19-9-10-36-32-19)33(31-20)14-16-5-2-3-8-18(16)26/h2-13H,14H2,1H3,(H,29,34)(H2,27,28,30)
InChIKeyOOXLQAVYTWVXPI-UHFFFAOYSA-N
XLogP4.03
TPSA133.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.48
LogP ≤ 54.03
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-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-3-methoxybenzamide?
The IUPAC name of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-3-methoxybenzamide (CID 68642295) is N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-3-methoxybenzamide?
The canonical SMILES for N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2cnc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)nc2N)c1.
What is the InChIKey of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-3-methoxybenzamide?
The InChIKey is OOXLQAVYTWVXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7O3/c1-35-17-7-4-6-15(11-17)25(34)29-21-13-28-24(30-23(21)27)20-12-22(19-9-10-36-32-19)33(31-20)14-16-5-2-3-8-18(16)26/h2-13H,14H2,1H3,(H,29,34)(H2,27,28,30).
What are the key properties of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-3-methoxybenzamide?
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-3-methoxybenzamide has a molecular weight of 485.48 g/mol, XLogP of 4.03, 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-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-3-methoxybenzamide is sourced from PubChem (CID 68642295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).